Shaanxi BLOOM Tech Co., Ltd. yog ib tug ntawm cov uas paub txog manufacturers thiab lwm tus neeg ntawm ethyl 3-methyl-1h-pyrazole-5-carboxylate cas 4027-57-0 nyob rau hauv Suav teb. Txais tos rau cov lag luam wholesale bulk zoo ethyl 3-methyl-1h-pyrazole-5-carboxylate cas 4027-57-0 rau muag ntawm no los ntawm peb lub hoobkas. Kev pabcuam zoo thiab tus nqi tsim nyog muaj.
Ethyl 3 -methyl-1H-pyrazole-5-carboxylate,Suav lub npe yog 3-methyl-1H-pyrazole-5-carboxylic acid ethyl ester los yog 1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid ethyl ester, uas yog ib qho tshuaj lom neeg raws li pyrazole compound, nws yuav muaj cov tshuaj lom neeg ntawm pyrazole compounds. Cov tsos mob feem ntau yog dawb mus rau lub teeb daj hmoov los yog siv lead ua. Nws tuaj yeem siv los ua ib qho nruab nrab hauv cov tshuaj synthesis los koom nrog hauv kev npaj cov tshuaj lom neeg lom neeg lossis tshuaj. Vim tias muaj peev xwm ua kom khaus lossis muaj kuab lom ntawm cov khoom sib xyaw no, lawv yuav tsum tau ua haujlwm hauv qhov chaw muaj cua zoo thiab cov cuab yeej tiv thaiv tsim nyog (xws li hnab looj tes, tsom iav, thiab lwm yam) yuav tsum hnav. Tsis tas li ntawd, kev sib cuag ncaj qha rau ntawm daim tawv nqaij, qhov muag, thiab lwm yam yuav tsum tau zam, thiab cov khib nyiab yuav tsum tau muab pov tseg kom zoo tom qab siv.
Cov ntaub ntawv ntxiv ntawm chemical compound:
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Tshuaj Formula |
C7H10N2O2 |
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Exact Mass |
154.07 |
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Molecular Luj |
154.17 |
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m/z |
154.07 (100.0%), 155.08 (7.6%) |
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Elemental Analysis |
C, 54.54; H, 6.54; N, 18.17; O, 20.76 |
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Melting point |
80-84℃(lit.) |
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Boiling point |
299.1 ± 20.0℃(Tshaj tawm) |
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Qhov ntom |
1.171 ± 0.06 g / cm3 (Tshaj tawm) |
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Ethyl 3 -methyl-1H-pyrazole-5-carboxylate(CAS naj npawb: 4027-57-0) yog ib qho organic compound uas muaj lub nplhaib pyrazole, nrog cov mis mos molecular C7H10N2O2 thiab molecular hnyav ntawm 154.17 g / mol. Raws li tus tswv cuab tseem ceeb ntawm pyrazole tebchaw, nws cov qauv tshuaj tshwj xeeb (ib tsib lub nplhaib heterocyclic uas muaj ob lub nitrogen atoms) ua rau nws muaj kev nplua nuj reactivity thiab ntau yam kev siv.
Pharmaceutical field: Cov nruab nrab tseem ceeb thiab lub luag haujlwm tseem ceeb hauv kev tsim tshuaj
Hauv kev lag luam tshuaj, cov tseem ceeb intermediates rau synthesis ntawm ntau yam tshuaj, tshwj xeeb tshaj yog nyob rau hauv kev tshawb fawb thiab kev loj hlob ntawm anti- mob qog noj ntshav, tshuaj tua kab mob, tshuaj tua kab mob thiab lwm yam tshuaj, tuav lub luag hauj lwm tseem ceeb. Nws lub nplhaib pyrazole tuaj yeem cuam tshuam nrog cov hom phiaj lom neeg xws li enzymes thiab receptors, yog li ua rau kev ua haujlwm tshuaj.
Lorlatinib (PF-06463922) yog thib peb - tiam ALK inhibitor tsim los ntawm Pfizer rau kev kho mob tsis yog-mob qog nqaij hlav qog noj ntshav (NSCLC), tshwj xeeb tshaj yog rau cov neeg mob resistant rau thawj tiam ALK inhibitor Crizotinib thiab thib ob-tiam ALK inhibitors Ceritinib thiab A.
Mechanism of action: ALK fusion gene yog ib qho ntawm cov noob tsav tsheb tsis yog -mob ntsws cancer. Loratinib inhibits qhov kev ua ntawm ALK tyrosine kinase, thaiv cov kev taw qhia ntawm cov qog hlwb (xws li PI3K / AKT, RAS / MAPK), thiab yog li inhibits qog loj hlob thiab metastasis.
Synthesis pathway: Nws yog ib qho tseem ceeb nruab nrab ntawm kev sib txuas ntawm lorlatinib.
Nws tau hloov mus rau hauv cov qauv tseem ceeb los ntawm cov kauj ruam hauv qab no:
Ester hydrolysis: Hydrolyzed rau 3-methyl-1H-pyrazole-5-carboxylic acid nyob rau hauv alkaline tej yam kev mob.
Nitrilation cov tshuaj tiv thaiv: Reacts nrog ammonia thiab sodium cyanide los ua 1-methyl-3- ((methoxy) methyl) -1H-pyrazole-5-nitrile.
Cyclization thiab hloov kho: Ntxiv cyclization nrog chloropyridine los tsim cov qauv kawg ntawm lorlatinib.
Qhov tseem ceeb ntawm kev kho mob: Loratinib muaj zog inhibitory cuam tshuam rau ALK resistant mutations (xws li L1196M, G1269A), ua rau kom muaj kev vam meej tsis muaj sia nyob (PFS) ntawm cov neeg mob thiab ua ib qho kev xaiv tseem ceeb rau kev kho mob ntsws cancer siab heev.
Nws kuj tseem tuaj yeem siv los ua ke los tsim lwm cov tshuaj tiv thaiv kab mob qog noj ntshav uas muaj pyrazole rings, xws li:
CDK inhibitors: Cyclin dependent kinases (CDKs) yog cov protein tseem ceeb uas tswj lub voj voog ntawm tes. Pyrazole tebchaw tuaj yeem thaiv cov qog cell proliferation los ntawm inhibiting kev ua ntawm CDK4/6.
PARP inhibitors: Adenosine diphosphate ribose polymerase (PARP) yog ib qho enzyme tseem ceeb hauv kev kho DNA puas, thiab pyrazole PARP inhibitors (xws li olaparib) tua BRCA mutant qog hlwb los ntawm "synthetic lethality" mechanism.
3. Antiviral thiab antibacterial tshuaj intermediates
Cov tshuaj tiv thaiv kab mob: Pyrazole nplhaib cov qauv muaj kev ua haujlwm zoo hauv cov tshuaj tiv thaiv kab mob, xws li inhibiting HIV integrase lossis RNA polymerase. Cov tshuaj tiv thaiv kab mob tshiab tuaj yeem tsim los ntawm kev hloov kho cov qauv.
Cov tshuaj tua kab mob: Cov tshuaj tua kab mob uas muaj pyrazole rings (xws li linezolid) siv cov tshuaj tua kab mob los ntawm inhibiting cov kab mob protein synthesis, thiab cov tshuaj no tuaj yeem siv ua ntej rau kev sib txuas ntawm nws cov analogues.
Nws cov nitrogen atom tuaj yeem tsim cov complexes nrog cov hlau ions (xws li tooj liab thiab palladium) thiab siv los ua cov ligand hauv cov tshuaj tiv thaiv hlau catalyzed. Piv txwv li:
Suzuki coupling cov tshuaj tiv thaiv: Nyob rau hauv palladium catalysis, pyrazole ligands tuaj yeem txhim kho kev sib txuas ua haujlwm ntawm aryl halides thiab boronic acid, uas yog siv los tsim cov tshuaj tsw qab (cov qauv ntawm cov tshuaj molecules).
Asymmetric catalysis: Chiral pyrazole ligands tuaj yeem siv rau asymmetric hydrogenation cov tshuaj tiv thaiv los ua ke optically ntshiab tshuaj intermediates.
Cov kev daws teeb meem tshiab rau kev tswj kab tsuag thiab kev tiv thaiv qoob loo hauv thaj tsam ntawm cov tshuaj tua kab
Hauv thaj chaw tshuaj tua kab,ethyl 3 -methyl-1H-pyrazole-5-carboxylatederivatives nthuav tawm kev ua haujlwm lom neeg zoo heev, tshwj xeeb tshaj yog hauv kev tawm tsam cov kab tsuag ua liaj ua teb nrog cov txiaj ntsig tseem ceeb. Nws cov txheej txheem ntawm kev ua feem ntau cuam tshuam nrog lub paj hlwb, ua pa, lossis cov txheej txheem metabolic ntawm cov kab tsuag.
1. Intermediate ntawm acaricide: lub synthesis core ntawm imidacloprid nitrile ester
Cyenopyrafen yog ib qho tshiab acrylonitrile raws li acaricide tsim los ntawm Sumitomo Chemical hauv Nyiv. Nws muaj txiaj ntsig zoo hauv kev tiv thaiv thiab tswj cov kab mob phem xws li kab laug sab liab thiab kab mob plawv ntawm cov qoob loo xws li citrus ntoo, txiv apples, thiab tshuaj yej ntoo.
Mechanism ntawm kev ua: Nitrile imidacloprid inhibits kev ua ntawm mitochondrial complex II (succinate dehydrogenase, SDH) nyob rau hauv teeb meem mites, blocks zog metabolism (ATP synthesis), thiab ua rau mite tuag.
Synthesis txoj kev: 3-methylpyrazole-5-carboxylic acid ethyl ester hloov mus rau nitrile imidacloprid ester los ntawm cov kauj ruam hauv qab no:
Esterexchange cov tshuaj tiv thaiv: Reacts nrog methanol los tsim 3-methyl-1H-pyrazole-5-carboxylic acid methyl ester.
Nitrilation cov tshuaj tiv thaiv: Reacts nrog sodium cyanide thiab thionyl chloride los ua 3-methyl-1H-pyrazole-5-carbonitrile.
Kev taw qhia ntawm sab saw: Reacts nrog chloroacrylonitrile los tsim cov qauv tseem ceeb ntawm nitrile imidacloprid ester.
Qhov zoo: Piv nrog cov tshuaj acaricides ib txwm muaj xws li avermectin thiab imidacloprid, imidacloprid muaj cov yam ntxwv ntawm kev xaiv siab, muaj zog ua haujlwm, lub neej ntev (4-6 lub lis piam), thiab tsis muaj tshuaj lom rau cov kab mob tsis zoo xws li muv thiab cov yeeb ncuab ntuj, uas yog nyob rau hauv txoj kab nrog txoj kev loj hlob ntawm cov tshuaj tua kab ntsuab.
2. Lwm yam tshuaj tua kab nruab nrab
Lwm cov tshuaj tua kab uas muaj pyrazole rings tuaj yeem tsim los ntawm kev hloov kho cov qauv:
Tshuaj tua kab mob: Pyrazole herbicides (xws li fluazuron) inhibit cov nroj tsuag kev loj hlob los ntawm suppressing acetyl lactate synthase (ALS) thiab thaiv cov synthesis ntawm ceg saw amino acids (valine, leucine).
Fungicides: Pyrazole fungicides (xws li fluconazole) inhibit fungal kev loj hlob los ntawm suppressing complex III nyob rau hauv lub mitochondrial respiratory saw, cuam tshuam lub zog metabolism.
3. Kev ua kom zoo tshaj plaws hauv kev tshawb fawb thiab kev tsim tshuaj tua kab
Cov hloov pauv ntawm pyrazole rings, xws li methyl thiab ethyl esters, tuaj yeem cuam tshuam rau kev ua haujlwm lom ntawm cov tshuaj tua kab. Cov tswv yim hauv qab no tuaj yeem txhim kho nws qhov kev ua tau zoo:
Taw qhia halogens: Qhia txog halogen atoms xws li fluorine thiab chlorine rau hauv lub nplhaib pyrazole tuaj yeem txhim kho cov lipid solubility ntawm cov tshuaj thiab txhim kho lawv lub peev xwm nkag mus rau cov kab mob ntawm tes.
Taw qhia heteroatoms: Qhia heteroatoms xws li oxygen thiab sulfur rau hauv cov saw hlau sab tuaj yeem tsim cov ntawv cog lus hydrogen lossis electrostatic kev sib cuam tshuam, txhim kho txoj kev sib txuas nrog lub hom phiaj protein.
Kev lag luam tshuaj: lub hauv paus ntawm cov organic synthesis thiab cov khoom siv ua haujlwm
Hauv kev lag luam tshuaj lom neeg, ua ib qho tseem ceeb ntawm cov organic nruab nrab, nws yog dav siv los tsim cov organic tebchaw uas muaj pyrazole rings, uas muaj peev xwm siv tau rau hauv cov ntaub ntawv science, cov khoom siv thiab lwm yam haujlwm.
1. Synthesis ntawm cov organic tebchaw
Pyrazole derivatives: Ntau yam pyrazole derivatives tuaj yeem ua ke los ntawm kev hloov pauv, kev cuam tshuam cyclization, thiab lwm yam, xws li:
1,3-dimethyl-1H-pyrazole-5-carboxylic acid ethyl ester: Qhia ib pab pawg thib ob methyl los ntawm cov tshuaj tiv thaiv methylation los txhim kho cov hydrophobicity ntawm cov molecule.
1,5-dimethylpyrazole-3-carboxylic acid methyl ester: synthesized los ntawm ester pauv thiab methylation tshuaj, siv los npaj cov polymers uas muaj pyrazole rings.
Heterocyclic compounds: Pyrazole rings tuaj yeem fuse nrog lwm cov heterocycles xws li thiazoles thiab imidazoles los tsim cov tshuaj heterocyclic nrog cov khoom tshwj xeeb, uas yog siv los tsim cov khoom siv.
2. Khoom siv Science
Optoelectronic cov ntaub ntawv: Cov khoom uas muaj pyrazole rings muaj kev ua tau zoo nyob rau hauv cov ntaub ntawv hloov dua siab tshiab photoelectric
Organic Light Emitting Diodes (OLEDs): Pyrazole tebchaw yuav siv tau raws li electron thauj txheej los yog qhov thaiv txheej txheej ntaub ntawv los txhim kho lub luminous efficiency thiab lifespan ntawm OLEDs.
Organic solar cells (OPVs): Pyrazole rings tuaj yeem nkag mus rau hauv cov khoom pub dawb lossis cov khoom siv los ua kom pom qhov zoo ntawm lub teeb pom kev zoo thiab kev them nqi hloov pauv.
Functional polymer: Los ntawm cov tshuaj tiv thaiv polymerization, pyrazole rings tuaj yeem nkag mus rau hauv cov saw hlau los npaj cov ntaub ntawv polymer nrog cov haujlwm tshwj xeeb
High temperature resistant material: Polyimide containing pyrazole ring has excellent thermal stability (decomposition temperature>500 degree) thiab tuaj yeem siv rau hauv thaj chaw aerospace.
Cov khoom siv hluav taws xob: Pyrazole conjugated polymers tuaj yeem ua tiav cov khoom siv los ntawm doping thiab siv rau hauv cov khoom siv hluav taws xob hloov tau.
3. Catalysis thiab Coordination Chemistry
Cov khoom siv hlau organic (MOFs): Pyrazole ring compounds tuaj yeem ua cov ligands los ua MOFs nrog cov hlau ions xws li zinc thiab tooj liab, nthuav tawm qhov tshwj xeeb ntawm thaj chaw thiab cov khoom zoo adsorption. Lawv tuaj yeem siv rau kev cia roj (xws li hydrogen thiab carbon dioxide), kev sib cais, thiab catalysis.
Asymmetric catalysis: Chiral pyrazole ligands tuaj yeem siv rau asymmetric hydrogenation, epoxidation, thiab lwm yam kev cuam tshuam los ua ke cov tshuaj ntshiab optically lossis cov tshuaj tsw qab nruab nrab.
Kev tshawb fawb teb: cov cuab yeej tseem ceeb rau kev tshawb fawb biochemical thiab kev txhim kho reagent
Hauv kev tshawb fawb txog kev tshawb fawb, ua ib qho tseem ceeb biochemical reagent,ethyl 3 -methyl-1H-pyrazole-5-carboxylateyog siv dav hauv kev tshawb fawb txog kev ua neej, kev sim ua cov organic synthesis, thiab lwm yam.
1. Kev tshawb fawb biochemical
Kev tshawb fawb txog enzyme: Pyrazole ring compounds tuaj yeem siv los ua enzyme inhibitors lossis activators los kawm txog kev sib raug zoo ntawm cov qauv enzyme thiab kev ua haujlwm. Piv txwv li:
SDH inhibitors: Nitrile imidacloprid analogs tuaj yeem siv los kawm txog cov txheej txheem catalytic ntawm mitochondrial complex II.
ALK inhibitors: Loratinib analogs tuaj yeem siv los kawm txog cov kev taw qhia ntawm ALK fusion noob.
Receptor binding assay: Los ntawm kev sib txuas cov ligands uas muaj pyrazole rings thiab kawm txog lawv cov khoom khi nrog cov receptors, lub hauv paus theoretical yog muab rau kev tsim tshuaj. Piv txwv li:
G protein coupled receptors (GPCRs): Pyrazole ligands tuaj yeem ua cov ligands xws li dopamine thiab adrenaline, thiab kawm txog kev sib cuam tshuam ntawm receptors thiab ligands.
2. Kev txhim kho reagent
Txheem thiab siv cov khoom siv: Cov khoom sib xyaw no tuaj yeem siv los ua tus qauv lossis siv cov khoom siv rau kev ntsuas cov cuab yeej xws li kev tshuaj ntsuam xyuas huab hwm coj thiab nuclear sib nqus resonance (NMR).
Organic synthesis reagents: Hauv cov organic synthesis, 3-methylpyrazole-5-carboxylic acid ethyl ester tuaj yeem siv los ua cov tshuaj tiv thaiv nruab nrab lossis reagent los koom nrog ntau yam tshuaj tiv thaiv:
Hloov cov tshuaj tiv thaiv: Cov nitrogen atom ntawm lub nplhaib pyrazole tuaj yeem raug alkylation thiab acylation cov tshuaj tiv thaiv, qhia cov khoom sib txawv.
Cyclization cov tshuaj tiv thaiv: Reacts nrog alpha, beta unsaturated ketones lossis aldehydes los tsim cov qauv heterocyclic tshiab.
Lwm qhov chaw muaj peev xwm thov tau
Ntxiv nrog rau cov lus hais saum toj no, cov peev txheej ntawm daim ntawv thov muaj peev xwm kuj tau pom nyob rau hauv cov hauv qab no:
1. Spices thiab essence
Cov tshuaj muaj pyrazole nplhaib muaj cov ntxhiab tsw tshwj xeeb thiab tuaj yeem siv los ua cov tshuaj tsw qab lossis cov ntsiab lus:
Floral fragrance: Cov khoom xyaw nrog roses thiab jasmine aromas tuaj yeem ua ke los ntawm kev qhia ntev - saw alkyl lossis aryl pawg.
Fragrant spices: Compounds nrog txiv apples thiab strawberry aromas tuaj yeem ua ke los ntawm kev qhia ester lossis aldehyde pawg.
2. Dyes thiab pigments
Los ntawm kev hloov kho tshuaj, dyes lossis pigments uas muaj pyrazole rings tuaj yeem tsim:
Acid dyes: Pyrazole rings tuaj yeem qhia sulfonic acid pawg los txhim kho cov dej solubility thiab dyeing kev ua tau zoo ntawm dyes, siv rau dyeing ntaub plaub thiab txhob lo lo ntxhuav.
Organic pigments: Pyrazole pigments muaj cov yam ntxwv ntawm cov xim qaim thiab kev ruaj ntseg zoo, thiab tuaj yeem siv rau xim yas thiab inks.
3. Hlau corrosion inhibitors
Pyrazole nplhaib sib txuas tuaj yeem tsim cov yeeb yaj kiab tiv thaiv ntawm cov hlau, tiv thaiv kev sib cuag nrog cov xov xwm corrosive xws li dej thiab oxygen, yog li tiv thaiv hlau corrosion. Piv txwv li:
Copper corrosion inhibitor: Cov khoom uas muaj pyrazole rings tuaj yeem tsim cov complexes ntawm tooj liab, tiv thaiv tooj liab oxidation.
Steel corrosion inhibitors: Pyrazole tebchaw tuaj yeem tsim cov complexes ruaj khov nrog cov hlau ions, ua kom qeeb ntawm corrosion ntawm steel.
Ethyl 3 -methyl-1H-pyrazole-5-carboxylate, raws li ib tug multifunctional organic intermediate, plays lub luag hauj lwm irreplaceable nyob rau hauv teb xws li tshuaj, tshuaj tua kab, chemical engineering, thiab cov ntaub ntawv kev tshawb fawb vim nws cov cim chemical qauv thiab nplua nuj reactivity. Los ntawm cov synthesis ntawm anticancer tshuaj lorlatinib mus rau kev loj hlob ntawm ntsuab acaricide nitrile imidacloprid, los ntawm optoelectronic cov ntaub ntawv mus rau hlau corrosion inhibitors, nws daim ntawv thov scope txuas ntxiv mus. Nyob rau hauv lub neej yav tom ntej, nrog rau kev loj hlob ntawm ntsuab chemistry, suav chemistry thiab lwm yam technologies, kev tshawb fawb ntawm 3-methylpyrazole-5-carboxylic acid ethyl ester thiab nws derivatives yuav usher nyob rau hauv tshiab lub sij hawm, muab ntau cov kev daws rau tib neeg noj qab haus huv, kev ua liaj ua teb ntau lawm thiab cov ntaub ntawv innovation.
Cim npe nrov: ethyl 3-methyl-1h-pyrazole-5-carboxylate cas 4027-57-0, lwm tus neeg, manufacturers, hoobkas, lag luam wholesale, yuav, nqe, tej, kev muag khoom