2 -Bromo-4'-fluoroacetophenone CAS 403-29-2

Shaanxi BLOOM Tech Co., Ltd. yog ib tug ntawm cov uas paub txog manufacturers thiab lwm tus neeg ntawm 2-bromo-4'-fluoroacetophenone cas 403-29-2 nyob rau hauv Suav teb. Txais tos rau cov lag luam wholesale bulk zoo 2-bromo-4'-fluoroacetophenone cas 403-29-2 muag ntawm no los ntawm peb lub hoobkas. Kev pabcuam zoo thiab tus nqi tsim nyog muaj.

2-Bromo-4'-fluoroacetophenoneCAS Tsis Yog{0}}, tshuaj formula C8H6BrFO. Muaj nyob rau hauv daim ntawv ntawm cov dawb crystals. Molecular hnyav 217.03500. Melting point 48-50℃C, boiling point 150℃C 12mm, flash point 110℃C, refractive index 1.549, Vapor siab 0.0138mmHg ntawm 25℃C. yuav siv tau raws li ib tug intermediate nyob rau hauv tshuaj thiab tshuaj synthesis. Yog tias 2-bromo-4-fluoroacetophenone tau nqus tau, thov txav tus neeg mob mus rau huab cua ntshiab; Yog tias muaj kev sib cuag ntawm daim tawv nqaij, cov khaub ncaws tsis huv yuav tsum tau muab tshem tawm, thiab daim tawv nqaij yuav tsum tau muab ntxuav kom huv nrog xab npum thiab dej.

Yog tias muaj kev tsis xis nyob, nrhiav kev kho mob; Yog tias nyob rau hauv kev sib cuag nrog lub hnub, daim tawv muag yuav tsum tau muab cais, ntxuav nrog dej ntws los yog physiological saline, thiab nrhiav kev kho mob tam sim ntawd; Yog tias nqos tau, yaug koj lub qhov ncauj tam sim ntawd, tsis txhob ntuav ntuav, thiab nrhiav kev kho mob tam sim ntawd. Nws yog ib tug compound nrog aromatic zog. Nws muaj zog electron affinity thiab electrophilicity, thiab yuav siv tau raws li ib tug electrophilic reagent nyob rau hauv tej yam tshwm sim. Qhov sib xyaw no yog qhov ruaj khov hauv huab cua thiab tuaj yeem tswj hwm nws cov khoom thaum khaws cia hauv qhov chaw qhuav thiab txias.

Cov qauv kev tsom xam ntawm2-Bromo-4'-fluoroacetophenonetuaj yeem nqa tawm los ntawm molecular Chemical bond thiab functional group.
Chemical bond analysis:
Cov khoom no muaj ib lub nplhaib benzene thiab ib sab saw. Lub nplhaib benzene yog ib lub nplhaib uas muaj ntxhiab tsw yooj yim uas muaj 6 carbon atoms thiab 3 ob daim ntawv cog lus, ib qho yog txuas nrog rau sab saw. Lub sab saw yog tsim los ntawm ib tug carbon atom, ib tug bromine atom, ib tug fluorine atom, thiab ib tug carbonyl oxygen atom. Hauv cov saw hlau sab, carbon atoms txuas nrog bromine atoms los ntawm ib daim ntawv cog lus, tsim C-Br daim ntawv cog lus; Los ntawm kev sib txuas fluorine atoms los ntawm ib daim ntawv cog lus, C-F daim ntawv cog lus yog tsim; Los ntawm kev sib txuas cov pa oxygen atoms los ntawm ob daim ntawv cog lus, C=O daim ntawv cog lus raug tsim.

Functional group analysis:
Cov pab pawg ua haujlwm hauv qab no muaj nyob hauv 2-Bromo-4'- fluoroacetophenone:
1. Ketone ua haujlwm pab pawg: Cov carbonyl oxygen atom txuas nrog cov pa roj carbon atom ntawm lub nplhaib benzene los ntawm ob daim ntawv cog lus, tsim ib pawg ketone ua haujlwm (C=O).
2. Bromine substituent: Lub bromine atom ntawm sab saw yog ib qho kev hloov pauv, uas cuam tshuam rau cov khoom siv tshuaj lom neeg thiab kev ua haujlwm ntawm cov tshuaj.
3. Fluorine substituent: Cov fluorine atom ntawm lub nplhaib benzene yog ib qho kev hloov pauv thiab tuaj yeem cuam tshuam cov khoom ntawm cov khoom sib xyaw.

2-Bromo-4'-fluoroacetophenone(CAS naj npawb: 403-29-2) yog ib qho tshuaj tsw qab ketone uas muaj bromine thiab fluorine, nrog rau cov mis molecular C ₈ H ₆ BrFO thiab molecular hnyav 217.04 g / mol. Qhov sib xyaw no nthuav tawm cov kev ua haujlwm tshwj xeeb hauv cov organic synthesis vim muaj ob qho tib si bromine atoms (cov chaw nquag) thiab fluorine atoms (electron effect regulating pawg) hauv nws cov qauv, thiab tau siv dav hauv kev lag luam xws li tshuaj, khoom siv science, thiab tshuaj chemistry.

Pharmaceutical thiab chemical synthesis intermediates

 

Bromine atoms tuaj yeem hloov tau los ntawm lwm pab pawg ua haujlwm los ntawm kev hloov pauv nucleophilic (xws li S ₙ 2, S ₙ Ar) lossis hloov pauv hlau catalyzed coupling cov tshuaj tiv thaiv (xws li Suzuki, Buchwald Hartwig), thaum lub zog electron tshem tawm cov nyhuv ntawm fluorine atoms tuaj yeem tswj cov kev sib tshuam ntawm lipoproteins.

Kev tshawb fawb thiab kev loj hlob ntawm cov tshuaj tiv thaiv- qog nqaij hlav: Ua ib qho nruab nrab rau kev sib txuas ntawm cov tshuaj fluorinated aromatic ketone kinase inhibitors, piv txwv li, qhia cov pab pawg trifluoromethyl los ntawm bromine fluorine pauv cov tshuaj tiv thaiv txhawm rau txhim kho kev xaiv toxicity ntawm cov tshuaj rau cov qog hlwb.
Antibacterial synthesis: Thaum synthesizing fluoroquinolone tshuaj tua kab mob, 2-Bromo-4 '- fluoroacetophenone tuaj yeem siv los ua tus thawj coj tseem ceeb los qhia cov amino lossis thiol sab chains los ntawm kev hloov pauv bromine.

Pharmaceutical thiab chemical synthesis intermediates

 

Kev taw qhia ntawm fluorine atoms hauv kev hloov kho ntawm cov khoom xyaw tshuaj nquag tuaj yeem hloov pauv cov metabolism hauv kev ruaj ntseg, daim nyias nyias permeability, thiab lub hom phiaj affinity ntawm cov tshuaj, thaum lub xub ntiag ntawm bromine atoms muab cov tshuaj tiv thaiv qhov chaw rau kev ua kom zoo dua qub.

Cov tshuaj hauv nruab nrab paj hlwb: Thaum ua ke cov kev xaiv 5-HT reuptake inhibitors, fluoroalkyl chains tau qhia los ntawm bromine hloov cov tshuaj tiv thaiv los tswj cov tshuaj cov ntshav-hlwb thaiv kev nkag mus.
Kev txhim kho tshuaj tiv thaiv kab mob: Siv cov khoom siv hluav taws xob ntawm fluorine atoms txhawm rau txhim kho cov molecular conformation ntawm steroid anti-cov tshuaj inflammatory thiab txo cov kev mob tshwm sim ntawm plab hnyuv.

Kev siv nyob rau hauv cov ntaub ntawv science

 

Bromine atoms tuaj yeem ua ke nrog cov tshuaj alkynyl los ntawm kev nias chemistry (xws li CuAAC cov tshuaj tiv thaiv) los tsim cov khoom siv nrog lub cev tshwj xeeb; Cov khoom siv hluav taws xob tsawg ntawm cov fluorine atom tuaj yeem muab cov khoom siv nrog hydrophobic lossis anti fouling zog. Raws li qhov nruab nrab rau kev sib xyaw ua ke ntawm cov tshuaj fluorinated kua siv lead ua monomers, cyanide lossis alkoxy chains tau qhia los ntawm bromine hloov cov tshuaj tiv thaiv los kho cov theem hloov pauv kub thiab dielectric tas li ntawm cov kua siv lead ua kua. Hauv kev sib xyaw ntawm fluorinated polyimides, 2-Bromo-4 '- fluoroacetophenone tuaj yeem siv los ua cov saw hlau txiav lossis sib txuas sib txuas los txhim kho cov thermal stability thiab cov khoom siv kho tshuab.

Lub zog electronegativity ntawm fluorine atoms tuaj yeem txo lub zog saum npoo ntawm cov ntaub ntawv, thaum lub reactivity ntawm bromine atoms tso cai rau lawv thauj mus rau lub substrate nto los ntawm covalent bonds. Tus kheej- txheej txheej ntxuav tuaj yeem ua cov fluorinated ntu mus rau saum npoo ntawm silica nanoparticles los ntawm bromine hloov cov tshuaj tiv thaiv los npaj cov txheej txheem superhydrophobic. Hloov kho cov tshuaj fluorinated organic molecules rau ntawm qhov chaw ntawm titanium alloy implants kom txo tau cov kev mob tshwm sim los ntawm kev siv cov roj ntsha inertness ntawm fluorine atoms.

Daim ntawv thov nyob rau hauv lub teb ntawm analytical chemistry

 

Chromogenic thiab derivatizing reagents yog cov qauv ketone uas muaj ntxhiab tsw qab uas tuaj yeem ua rau lub cev los yog cov tshuaj tiv thaiv redox nrog cov tshuaj analytes tshwj xeeb (xws li cov amino acids, qab zib) los tsim cov khoom xim lossis cov khoom siv fluorescent, yog li ua tiav cov txiaj ntsig zoo lossis kev tshawb pom ntau.
Nyias txheej chromatography (TLC) xim kev loj hlob: Zoo ib yam li indanone, 2-Bromo-4 '- fluoroacetophenone tuaj yeem hnov ​​​​mob nrog cov amino acids los tsim cov pob liab liab, tab sis kev qhia txog fluorine atoms tuaj yeem ua rau xim rhiab heev.

Kev ua haujlwm siab ua kua chromatography (HPLC) derivatization: Thaum kuaj pom leej faj - muaj cov amino acids, fluorescent pawg tau qhia los ntawm bromine hloov cov tshuaj tiv thaiv los txhim kho qhov kev kuaj pom. High purity (Ntau dua lossis sib npaug li 98%) 2-Bromo-4 '- fluoroacetophenone tuaj yeem siv los ua tus qauv rau huab hwm coj spectrometry lossis nuclear magnetic resonance (NMR) tsom xam, rau kev ntsuas ntsuas lossis kev siv tau. Hauv kev tswj hwm zoo ntawm cov tshuaj fluorinated, raws li tus txheej txheem paub txog impurity reference, cov ntsiab lus impurity yog quantitatively analyzed los ntawm HPLC-MS. Hauv kev tshawb fawb txog tshuaj metabolism hauv tshuaj, raws li kev tswj tsis tau sau npe ntawm isotopic markers, nws pab hauv kev txheeb xyuas cov txheej txheem metabolic.

Nws tuaj yeem ua ke los ntawm cov kauj ruam hauv qab no:

Kauj ruam 1: Synthesis ntawm 4'-fluoroacetophenone:

4-fluorobenzoic acid yog reacted nrog Acetic anhydride los tsim 4'-fluorophenylacetate ethyl ester. Tom qab ntawd, 4'-fluoroacetophenone yog tsim los ntawm hydrolysis nyob rau hauv acidic tej yam kev mob.

Kauj ruam 2: Synthesize2-Bromo-4'-fluoroacetophenone:

Cov tshuaj tiv thaiv ntawm 4'-fluoroacetophenone nrog Copper(I) bromide (CuBr) nyob rau hauv alkaline tej yam kev mob tsim 2-Bromo-4'-fluoroacetopohenone.

Tshuaj tiv thaiv formula:

Teb 1:

C₇H₅FO₂+C₄ H₆ O₃ → C₁₀H₁₁FO₂+ CH₃COOH

Teb 2:

C₁₀H₁₁FO₂+ acid → C₈H₇FO + C₂H₅OH

Teb 3:

C₈H₇FO+CuBr+NaOH → C₈H₆BrFO + CuO + H₂O

Lwm txoj kev ntawm kev sib txuas nws yog los ntawm Electrophilic hloov pauv.

Kauj ruam 1: Synthesis ntawm 4'-amino Acetophenone

4-Aminobenzoic acid yog reacted nrog Acetic anhydride los tsim 4'-aminobenenebc phenylacetic acid ethyl ester. Tom qab ntawd, hydrolysis yog nqa tawm nyob rau hauv acidic tej yam kev mob los tsim 4 '- amino Acetophenone.

Tshuaj tiv thaiv formula:

Teb 1:

C₇H₇TSIS MUAJ₂+C₄ H₆ O₃ → C₁₀H₁₃TSIS MUAJ₂+ CH₃COOH

Teb 2:

C₁₀H₁₃TSIS MUAJ₂+ acid → C₈H₉TSIS + C₂H₅OH

Kauj Ruam 2: Synthesize cov khoom

4'-amino Acetophenone yog reacted nrog tooj liab (I) bromide (CuBr) thiab fluoride los tsim cov khoom.

Tshuaj tiv thaiv formula:

Teb 3:

C₈H₉NO+CuBr+KF → C₈H₆BrFO+CuF+KBr

Kev txhim kho yeeb tshuaj yog txheej txheem ntev thiab nyuaj, uas cov tshuaj metabolism hauv kev taug qab thiab kev tshuaj xyuas ntau yog qhov txuas tseem ceeb. Kev nkag siab meej txog cov txheej txheem metabolic, cov yam ntxwv ntawm cov tshuaj pharmacokinetic, thiab kev cuam tshuam nrog lwm cov tshuaj hauv lub cev yog qhov tseem ceeb rau kev ntsuas kev ua tau zoo thiab kev nyab xeeb ntawm cov tshuaj. ruaj khov isotope labeling technology, tshwj xeeb tshaj yog deuterium labeling, plays lub luag hauj lwm irreplaceable nyob rau hauv cov tshuaj metabolic kev tshawb fawb vim nws tshwj xeeb zoo.2-Bromo-4'-fluoroacetophenone, raws li cov organic compound nrog cov qauv tshwj xeeb, feem ntau yog siv los ua ib qho tseem ceeb hauv cov tshuaj synthesis. Txoj kev tshawb no ntawm nws cov deuterated derivatives muab qhov kev xav tshiab rau kev nkag siab tob dua ntawm cov tshuaj metabolism hauv cov txheej txheem.

Kev txhais thiab kev faib tawm ntawm isotopes

 

Isotopes hais txog cov atoms sib txawv ntawm tib lub caij nrog tib tus naj npawb ntawm protons tab sis sib txawv ntawm cov neutrons. Raws li lawv lub cev muaj zog, isotopes tuaj yeem muab faib ua cov isotopes radioactive thiab cov isotopes ruaj khov. Radioisotopes ua rau lawv tus kheej txoj kev lwj, emitting hluav taws xob lub zog thiab muaj ib nrab ntawm lub cev -lub neej; Cov isotopes ruaj khov yog tsis muaj xov tooj cua thiab muaj lub cev ruaj khov, uas muaj nyob rau hauv ib qho kev faib ua feem hauv qhov xwm txheej.

Lub hauv paus ntsiab lus thiab cov txheej txheem ntawm Stable Isotope Labeling

 

Kev ruaj khov isotope labeling yog siv cov isotopes uas tsis muaj hluav taws xob ruaj khov los sau cov txheej txheem metabolic lossis cov tshuaj lom neeg biochemical tshwm sim hauv lub cev, thiab sib piv thiab tshuaj xyuas lawv nrog cov tsis muaj hluav taws xob ntau isotope sau cov ntsiab lus los txiav txim cov ntsiab lus hloov pauv. Cov isotopes ruaj khov muaj xws li deuterium (² H), carbon-13 (¹³ C), nitrogen-15 (¹⁵ N), oxygen-18 (¹⁸ O), thiab lwm yam. Cov txheej txheem rau kev ruaj khov isotope labeling feem ntau suav nrog hydrogen deuterium pauv, deuterium txo, thiab lwm yam. Los ntawm cov txheej txheem no, deuterium atoms tuaj yeem nkag mus rau hauv lub hom phiaj kev sib xyaw ua ke.

Qhov zoo ntawm ruaj khov Isotope Labeling hauv Kev Tshawb Fawb Tshuaj

 

Piv nrog rau cov khoom siv hluav taws xob isotope labeling, ruaj khov isotope labeling muaj qhov zoo ntawm tsis muaj hluav taws xob, tsis xav tau cov cuab yeej siv hluav taws xob thiab hluav taws xob tiv thaiv hluav taws xob, thiab tsis muaj kuab paug ib puag ncig. Tsis tas li ntawd, kev npaj thiab kev tshawb nrhiav cov txheej txheem ntawm kev ruaj khov isotope labeling reagents yog qhov yooj yim, tus nqi - zoo, thiab tuaj yeem muab cov txiaj ntsig kev txheeb xyuas qhov tseeb dua. Yog li ntawd, ruaj khov isotope labeling tau siv dav hauv kev tshuaj xyuas cov tshuaj metabolism thiab kev tshuaj xyuas ntau.

Kev npaj ntawm Deuterated Markers

 

Pib los ntawm 2-bromo-4 '- fluoroacetophenone, nws cov deuterated derivatives tuaj yeem npaj los ntawm cov tshuaj tiv thaiv tshwj xeeb. Piv txwv li, siv txoj kev sib pauv hydrogen deuterium, nyob rau hauv qhov tsim nyog catalyst thiab cov tshuaj tiv thaiv, ib nrab lossis tag nrho hloov cov hydrogen atoms hauv 2-bromo-4 '- fluoroacetophenone molecules nrog deuterium atoms kom tau txais deuterated 2-bromo-4' - fluoroacetophenone. Kev tswj xyuas nruj ntawm cov tshuaj tiv thaiv yuav tsum tau ua thaum lub sijhawm npaj ua kom paub tseeb tias qhov tseeb thiab kev xaiv ntawm deuterium labeling.

Analysis ntawm metabolic txoj kev

 

Deuterated biomarkers tuaj yeem siv rau hauv kev tshawb fawb txog tshuaj metabolism hauv kev tshawb fawb los qhia txog cov txheej txheem metabolic ntawm cov tshuaj. Tom qab tswj hwm deuterated 2-bromo-4 '- fluoroacetophenone los yog nws cov khoom siv rau cov tsiaj sim lossis cov qauv ntawm tes, kev faib tawm ntawm deuterium atoms hauv cov metabolites tuaj yeem tshawb pom los ntawm cov txheej txheem kev tshuaj ntsuam xws li huab hwm coj spectrometry thiab nuclear magnetic resonance los txiav txim siab txoj kev metabolic ntawm cov tshuaj hauv vivo. Piv txwv li, kev tshawb fawb tau pom tias deuterated 2-bromo-4 '- fluoroacetophenone tuaj yeem tsim ntau yam metabolites hauv vivo los ntawm oxidation, txo, hydrolysis, thiab lwm yam kev cuam tshuam. Kev sau npe ntawm deuterium atoms pab kom paub meej cov peev txheej thiab kev hloov pauv kev sib raug zoo ntawm txhua qhov metabolite.

Kev txiav txim siab ntawm cov tshuaj pharmacokinetic

 

Pharmacokinetic tsis yog cov cim tseem ceeb rau kev ntsuas kev nqus, kev faib tawm, cov metabolism, thiab cov txheej txheem tawm ntawm cov tshuaj hauv lub cev. Kev siv cov cim deuterated tuaj yeem txiav txim siab cov tshuaj pharmacokinetic tsis raug. Los ntawm kev sib piv lub sij hawm ntawm lub sij hawm nkhaus ntawm deuterated thiab tsis sau tshuaj nyob rau hauv vivo, tsis xws li ib nrab -lub neej, clearance npaum li cas, thiab bioavailability ntawm cov tshuaj yuav xam tau. Piv txwv li, hauv kev kawm cov tshuaj pharmacokinetics ntawm deuterated 2-bromo-4 '- fluoroacetophenone derivatives, nws tau pom tias deuterated labeling tuaj yeem ua kom ntev ib nrab ntawm cov tshuaj thiab txhim kho lawv cov bioavailability, muab lub hauv paus tseem ceeb rau kev ua kom zoo dua cov tshuaj formulations thiab kev tswj hwm kev tswj hwm.

Cim npe nrov: 2-Bromo-4'-fluoroacetophenone CAS 403-29-2, lwm tus neeg, manufacturers, hoobkas, lag luam wholesale, yuav, nqe, tej, kev muag khoom