2-(4-Bromophenyl)-2-phenylacetic acid

Base Information

• Chemical Name: 2-(4-Bromophenyl)-2-phenylacetic acid
• CAS No.: 21771-89-1
• Molecular Formula: C14H11BrO2
• Molecular Weight: 291.144
• DSSTox Substance ID: DTXSID101296136
• Nikkaji Number: J786.808A
• Mol file: 21771-89-1.mol

Synonyms:2-(4-bromophenyl)-2-phenylacetic acid;(4-bromophenyl)(phenyl)acetic acid;21771-89-1;(4-bromophenyl)phenylacetic acid;SCHEMBL2842478;YNCBITWCPFWJJG-UHFFFAOYSA-N;DTXSID101296136;4-Bromo-alpha-phenylbenzeneacetic acid;AKOS016035823;alpha-Phenyl-4-bromobenzeneacetic acid;CS-0216269;FT-0743375;EN300-374339

Chemical Property of 2-(4-Bromophenyl)-2-phenylacetic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.66560
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 289.99424
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Bromophenyl)-2-phenylaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Bromophenyl)-2-phenylacetic acid

There total 14 articles about 2-(4-Bromophenyl)-2-phenylacetic 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: 98.0%

2-(4-bromophenyl)-2-phenylacetonitrile (33268-46-1) → α-(4-bromophenyl)phenylacetic acid (21771-89-1)

Guidance literature:

With sulfuric acid; water; at 0 ℃; Inert atmosphere; Reflux;

Reference yield: 36.0%

2-(4-bromophenyl)-2-phenylethanal (16343-34-3) → α-(4-bromophenyl)phenylacetic acid (21771-89-1)

Guidance literature:

With Jones reagent; In acetone; at -10 ℃;

Reference yield: 31.0%

2-(4-bromophenyl)-2-phenyloxirane (1070671-69-0) → α-(4-bromophenyl)phenylacetic acid (21771-89-1)

Guidance literature:

2-(4-bromophenyl)-2-phenyloxirane; With boron trifluoride diethyl etherate; In toluene; at -10 - 20 ℃;

With Jones reagent; In acetone; at -10 ℃; for 0.5h;

upstream raw materials:

bromobenzene

MANDELIC ACID

2-(4-bromophenyl)-2-phenylethanal

(4-bromophenyl)(phenyl)methanone

Downstream raw materials:

C₂₉H₂₆BrNO

C₂₃H₂₂BrNO

C₂₁H₁₇BrO₂

methyl 2-phenyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Refernces

• 1、 -. "SUBSTITUTED PYRIMIDINES". . . Retrieved 2013/04/10.
• 2、 -. "LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS". . . Retrieved 2013/03/26.