alpha-Bromo-2-chlorophenylacetic acid

Base Information

• Chemical Name: alpha-Bromo-2-chlorophenylacetic acid
• CAS No.: 29270-30-2
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.491
• Hs Code.: 2916399090
• European Community (EC) Number: 604-221-9,608-337-0
• DSSTox Substance ID: DTXSID50930989
• Nikkaji Number: J2.650.101F
• Mol file: 29270-30-2.mol

Synonyms:29270-30-2;alpha-Bromo-2-chlorophenylacetic acid;2-bromo-2-(2-chlorophenyl)acetic Acid;141109-25-3;2-Bromo-2-(2'-chlorophenyl) acetic acid;alpha-Bromo-2-chlorophenyl acetic acid;bromo(2-chlorophenyl)acetic acid;Benzeneacetic acid, alpha-bromo-2-chloro-;Benzeneacetic acid, a-bromo-2-chloro-, (A+/-)-;a-Bromo 2-chlorophenylacetic acid;alpha-Bromo(2-Chloro)Phenylacetic Acid;Alapha-bromo-(2-chloro)-phenylacetic acid;-bromo-2-chlorophenylacetic acid;a-bromo-2-chlorophenylacetic acid;ALPHA-BROMO-(2-CHLORO)PHENYLACETIC ACID;SCHEMBL365284;DTXSID50930989;bromo (2-chlorophenyl)acetic acid;XHAPROULWZYBGA-UHFFFAOYSA-N;AM890;MFCD03428513;2-Bromo-2-(2-chlorophenyl)aceticacid;AKOS015888223;alpha-bromo(2-chlorophenyl)acetic acid;AC-8158;alpha-bromo (2-chloro)phenylacetic acid;alpha-bromo-(2-chlorophenyl)acetic acid;(+/-)-bromo(2-chlorophenyl)acetic acid;AC-16320;alpha-bromo (2-chloro) phenylacetic acid;AS-10786;2-Bromo-2-(2\'-chlorophenyl) acetic acid;alpha-Bromo-2-chlorophenylacetic acid, 97%;B2950;CS-0128823;FT-0602435;FT-0655829;D78054;EN300-142991;A876495;J-508184;|A inverted exclamation mark-Bromo-2-chlorophenylacetic acid

Chemical Property of alpha-Bromo-2-chlorophenylacetic acid

Chemical Property:

• Melting Point: 105-108 °C
• Boiling Point: 316.7 °C at 760 mmHg
• PKA: 2.24±0.10(Predicted)
• Flash Point: 145.3 °C
• PSA: 37.30000
• Density: 1.747 g/cm³
• LogP: 2.86060
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform, Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.92397
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromo-2-(2-chlorophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(C(=O)O)Br)Cl
• Uses: 2-Bromo-2-(2-chlorophenyl)acetic Acid is used as an intermediate in the preparation of biologically active compounds such as the antithrombotic Clopidogrel (C587250).

Technology Process of alpha-Bromo-2-chlorophenylacetic acid

There total 7 articles about alpha-Bromo-2-chlorophenylacetic 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: 89.0%

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

Guidance literature:

With sulfuric acid; dihydrogen peroxide; sodium bromide; In dichloromethane; water; at 10 - 30 ℃; for 40h; Time; Large scale;

Reference yield: 73.0%

2-amino-(2-chlorophenyl)ethanoic acid (86169-24-6,141196-64-7,141315-50-6,88744-36-9) → α-bromo-2-chlorophenyl acetic acid (29270-30-2,141109-25-3)

Guidance literature:

With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 7.33333h;

Reference yield: 67.0%

Bromoform (75-25-2) + 2-chloro-benzaldehyde (89-98-5) → α-bromo-2-chlorophenyl acetic acid (29270-30-2,141109-25-3)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In 1,2-dimethoxyethane; water; toluene;

upstream raw materials:

2-chloromandelic acid

2'-chloro-benzeneacetic acid

Bromoform

di-isopropyl ether

Downstream raw materials:

azido-(2-chloro-phenyl)-acetic acid

4-methoxy-benzaldehyde [5-(2-chloro-phenyl)-4-oxo-thiazolidin-2-ylidene]-hydrazone

2-hydroxy-benzaldehyde [5-(2-chloro-phenyl)-4-oxo-thiazolidin-2-ylidene]-hydrazone

2-methyl-benzaldehyde [5-(2-chloro-phenyl)-4-oxo-thiazolidin-2-ylidene]-hydrazone

Refernces

• 1、 Xue, Xiaoqian,Zhang, Yan,Wang, Chao,Zhang, Maofeng,Xiang, Qiuping,Wang, Junjian,Wang, Anhui,Li, Chenchang,Zhang, Cheng,Zou, Lingjiao,Wang, Rui,Wu, Shuang,Lu, Yongzhi,Chen, Hongwu,Ding, Ke,Li, Guohui,Xu, Yong. "Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer". supporting information. p. 542 - 559. Retrieved 2018/05/24.
• 2、 -. "Clopidogre and wherein the intermediate α-bromo-ortho-chlorophenyl acetic acid and α-thiophene substituted ethylamino- method for the preparation of acetic acid hydrochloride (by machine translation)". Paragraph 0051-0053. . Retrieved 2017/04/29.