Methyl bromo(4-fluorophenyl)acetate

Base Information

• Chemical Name: Methyl bromo(4-fluorophenyl)acetate
• CAS No.: 71783-54-5
• Molecular Formula: C9H8BrFO2
• Molecular Weight: 247.064
• Hs Code.: 2916399090
• European Community (EC) Number: 840-415-1
• DSSTox Substance ID: DTXSID20507900
• Nikkaji Number: J360.082C
• Mol file: 71783-54-5.mol

Synonyms:methyl bromo(4-fluorophenyl)acetate;71783-54-5;Methyl 2-bromo-2-(4-fluorophenyl)acetate;Bromo-(4-fluoro-phenyl)-acetic acid methyl ester;MFCD08444284;SCHEMBL706814;DTXSID20507900;ZDQQNZRQRARBNB-UHFFFAOYSA-N;WCA78354;AKOS009096558;methyl alpha-bromo-4-fluorophenylacetate;Methyl2-bromo-2-(4-fluorophenyl)acetate;AS-62161;SY168604;EN300-24514;2-bromo-2-(4-fluorophenyl)acetic acid methyl ester;Z198750882

Chemical Property of Methyl bromo(4-fluorophenyl)acetate

Chemical Property:

• PSA: 26.30000
• LogP: 2.43470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.96917
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Methylbromo(4-fluorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=C(C=C1)F)Br

Technology Process of Methyl bromo(4-fluorophenyl)acetate

There total 8 articles about Methyl bromo(4-fluorophenyl)acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

4-fluorobenzeneacetic acid methyl ester (34837-84-8) → methyl 2-bromo-2-(4-fluorophenyl)acetate (71783-54-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 5h; Heating;

DOI:10.1016/S0040-4020(02)01397-2

Reference yield: 87.0%

→ methyl 2-bromo-2-(4-fluorophenyl)acetate (71783-54-5)

Guidance literature:

Reference yield: 86.0%

methyl 2-diazo-2-(4-fluorophenyl)acetate (219564-79-1) → methyl 2-bromo-2-(4-fluorophenyl)acetate (71783-54-5)

Guidance literature:

With cobalt(II) bromide hexahydrate; In 1,4-dioxane; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/adsc.202000009

upstream raw materials:

4-fluorobenzeneacetic acid methyl ester

p-Fluorophenylacetic acid

4-Fluorophenylacetyl chloride

methyl 4-fluoro-α-hydroxyphenylacetate

Downstream raw materials:

4-[(4-fluoro-phenyl)-methoxycarbonyl-methyl]-piperazine-1-carboxylic acid tert-butyl ester

2-[4-tert-Butyloxycarbonylpiperazin-1-yl]2-[4-fluorophenyl]ethan-1-ol

[2-((4R,6R)-6-tert-Butoxycarbonylmethyl-2,2-dimethyl-[1,3]dioxan-4-yl)-ethylamino]-(4-fluoro-phenyl)-acetic acid methyl ester

2-(4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine

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