Bis(4-bromophenyl)glycolic acid

Base Information

• Chemical Name: Bis(4-bromophenyl)glycolic acid
• CAS No.: 30738-49-9
• Molecular Formula: C14H10 Br2 O3
• Molecular Weight: 386.04
• Hs Code.: 2918199090
• European Community (EC) Number: 250-318-0
• UNII: GBP1E0BH2P
• DSSTox Substance ID: DTXSID80184756
• Nikkaji Number: J287.387G
• Wikidata: Q83055692
• Mol file: 30738-49-9.mol

Synonyms:30738-49-9;Bis(4-bromophenyl)glycolic acid;2,2-bis(4-bromophenyl)-2-hydroxyacetic acid;dibromobenzilic acid;GBP1E0BH2P;EINECS 250-318-0;UNII-GBP1E0BH2P;4,4'-Dibromobenzilic acid;Bis(4-bromophenyl)(hydroxy)acetic acid;Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-;Bromopropylate metabolite;Enamine_000132;4,4-dibromobenzilic acid;Oprea1_001286;Oprea1_564673;SCHEMBL3172975;DTXSID80184756;C14-H10-Br2-O3;HMS1394F22;MFCD00187203;AKOS000522066;SR-01000314947;SR-01000314947-1;Z56766730;F8880-4175;4-BROMO-.ALPHA.-(4-BROMOPHENYL)-.ALPHA.-HYDROXYBENZENEACETIC ACID;BENZENEACETIC ACID, 4-BROMO-.ALPHA.-(4-BROMOPHENYL)-.ALPHA.-HYDROXY-

Chemical Property of Bis(4-bromophenyl)glycolic acid

Chemical Property:

• Vapor Pressure: 1.5E-11mmHg at 25°C
• Boiling Point: 517.9°Cat760mmHg
• Flash Point: 267°C
• PSA: 57.53000
• Density: 1.832g/cm³
• LogP: 3.53210
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 385.89762
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

DIBROMOBENZILIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)(C(=O)O)O)Br

Technology Process of Bis(4-bromophenyl)glycolic acid

There total 10 articles about Bis(4-bromophenyl)glycolic 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: 93.0%

4,4'-dibromobenzil (35578-47-3) → 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid (30738-49-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1007/BF00772107

Reference yield: 92.0%

bromopropylate (18181-80-1) → 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid (30738-49-9)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1021/jf802821n

Reference yield: 78.0%

4-bromo-benzaldehyde (1122-91-4) → 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid (30738-49-9)

Guidance literature:

4-bromo-benzaldehyde; With oxygen; 1-butyl-3-methylimidazolium Tetrafluoroborate; potassium hydroxide; at 60 ℃; for 0.333333h; Neat (no solvent); Microwave irradiation;

With hydrogenchloride; In water; at 20 ℃;

DOI:10.1016/j.tetlet.2011.03.020

upstream raw materials:

4,4'-dibromobenzil

sodium ethanolate

1,2-bis(4-bromophenyl)-2-hydroxyethan-1-one

4-bromo-benzaldehyde

Downstream raw materials:

Bis-(4-bromo-phenyl)-hydroxy-acetic acid 3-pyrrolidin-1-yl-propyl ester

Bis-(4-bromo-phenyl)-hydroxy-acetic acid 2-piperidin-1-yl-ethyl ester

Bis-(4-bromo-phenyl)-hydroxy-acetic acid 2-dimethylamino-ethyl ester

methyl 4-[2,2-bis(4-bromophenyl)-2-hydroxyacetamido]butanoate

Refernces

• 1、 Singh, Neetu,Singh, Satish Kumar,Khanna,Singh, Krishna Nand. "Ionic liquid/potassium hydroxide catalyzed solvent-free, one-pot synthesis of diarylglycolic acids from aromatic aldehydes under microwave". experimental part. p. 2419 - 2422. Retrieved 2011/05/09.
• 2、 Yu, Hui-Ming,Chen, Same-Ting,Tseng, Min-Jen,Chen, Shui-Tein,Wang, Kung-Tsung. "Microwave-assisted heterogeneous benzil-benzilic acid rearrangement". . p. 62 - 63. Retrieved 2007/10/03.