2-Bromo-2-(4-fluorophenyl)acetic acid

Base Information

• Chemical Name: 2-Bromo-2-(4-fluorophenyl)acetic acid
• CAS No.: 29270-33-5
• Molecular Formula: C8H6 Br F O2
• Molecular Weight: 233.037
• Hs Code.: 2916399090
• European Community (EC) Number: 627-468-4
• DSSTox Substance ID: DTXSID60584533
• Mol file: 29270-33-5.mol

Synonyms:29270-33-5;2-bromo-2-(4-fluorophenyl)acetic acid;alpha-Bromo-4-fluorophenylacetic acid;Benzeneacetic acid, alpha-bromo-4-fluoro-;SCHEMBL2119;ALPHA-BROMO-4-FLUOROPHENYLACETIC ACID 9;Bromo(4-fluorophenyl)acetic acid;DTXSID60584533;ATILMAUMZRFROS-UHFFFAOYSA-N;a-Bromo-4-fluorobenzeneacetic acid;2-bromo-2-(4-fluorophenyl)aceticacid;AKOS026732159;alpha -Bromo-4-fluorophenylacetic acid;alpha-Bromo-(4-fluorophenyl)acetic acid;Benzeneacetic acid, |A-bromo-4-fluoro-;AS-63436;alpha-Bromo-4-fluorophenylacetic acid, 97%;CS-0204625;G63704;J-017465

Chemical Property of 2-Bromo-2-(4-fluorophenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Melting Point: 96-100 °C
• Refractive Index: 1.582
• Boiling Point: 288.2°C at 760 mmHg
• PKA: 2.37±0.10(Predicted)
• Flash Point: 128.1°C
• PSA: 37.30000
• Density: 1.725g/cm³
• LogP: 2.34630
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.95352
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

α-Bromo-4-fluorophenylacetic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)Br)F

Technology Process of 2-Bromo-2-(4-fluorophenyl)acetic acid

There total 24 articles about 2-Bromo-2-(4-fluorophenyl)acetic acid 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: 99.0%

p-Fluorophenylacetic acid (405-50-5) → 2-bromo-2-(4-fluorophenyl)acetic acid (29270-33-5)

Guidance literature:

With bromine; In tetrachloromethane; for 2h; Heating; Irradiation;

DOI:10.1021/jm00074a028

Reference yield:

2'-chloro-benzeneacetic acid (2444-36-2) → 2-bromo-2-(4-fluorophenyl)acetic acid (29270-33-5) + α-bromo-2-chlorophenyl acetic acid (29270-30-2,141109-25-3)

Guidance literature:

Reference yield:

(3,4-difluorophenyl)acetic acid (658-93-5) → α-bromo-(3,4-difluorophenyl)acetic acid (251366-48-0) + 2-bromo-2-(4-fluorophenyl)acetic acid (29270-33-5)

Guidance literature:

upstream raw materials:

p-Fluorophenylacetic acid

(3,4-difluorophenyl)acetic acid

2,4-difluorophenylacetic acid

2'-chloro-benzeneacetic acid

Downstream raw materials:

S-(2-chloro-3-fluoro-6-nitrophenyl)-α-mercapto-4-fluorobenzeneacetic acid

2-bromo-2-(p-fluorophenyl)acetamide

1-benzyl-3-tert-butyl-5-(4-fluorophenyl)-imidazolidine-2,4-dione

(4-[3-benzyl-4-(4-fluorophenyl)-2,5-dioxo-imidazolidin-1-yl]-phenyl)-carbamic acid benzyl ester

Refernces

• 1、 Fotsch, Christopher,Bartberger, Michael D.,Bercot, Eric A.,Chen, Michelle,Cupples, Rod,Emery, Maury,Fretland, Jenne,Guram, Anil,Hale, Clarence,Han, Nianhe,Hickman, Dean,Hungate, Randall W.,Hayashi, Michael,Komorowski, Renee,Liu, Qingyian,Matsumoto, Guy,St. Jean Jr., David J.,Ursu, Stefania,Véniant, Murielle,Xu, Guifen,Ye, Qiuping,Yuan, Chester,Zhang, Jiandong,Zhang, Xiping,Tu, Hua,Wang, Minghan. "Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11β-hydroxysteroid dehydrogenase type 1 inhibitors: Reducing pregnane X receptor activity and exploring activity in a monkey pharmacodynamic model". experimental part. p. 7953 - 7967. Retrieved 2009/12/07.
• 2、 Cecchetti, Violetta,Fravolini, Arnaldo,Pagella, Pier Giuseppe,Savino, Angela,Tabarrini, Oriana. "Quinolinecarboxylic Acids. 3. Synthesis and Antibacterial Evaluation of 2-Substituted-7-oxo-2,3-dihydro-7H-pyridobenzothiazine-6-carboxylic Acids Related to Rufloxacin". . p. 3449 - 3454. Retrieved 2007/10/02.