Di[1,1'-biphenyl]-4-yl(hydroxy)acetic acid

Base Information

• Chemical Name: Di[1,1'-biphenyl]-4-yl(hydroxy)acetic acid
• CAS No.: 6334-91-4
• Molecular Formula: C₂₆H₂₀O₃
• Molecular Weight: 380.443
• Hs Code.: 2918199090
• NSC Number: 28086
• DSSTox Substance ID: DTXSID50282814
• Wikidata: Q82017181
• ChEMBL ID: CHEMBL1373523
• Mol file: 6334-91-4.mol

Synonyms:NSC28086;6334-91-4;NSC-28086;di[1,1'-biphenyl]-4-yl(hydroxy)acetic acid;NCIStruc1_001215;NCIStruc2_001076;CHEMBL1373523;SCHEMBL12168365;DTXSID50282814;NCI28086;CCG-36896;NCGC00013348;NCGC00013348-02;NCGC00096465-01;NCI60_002285;2-hydroxy-2,2-bis(4-phenylphenyl)-acetic acid;BRD-K39917366-001-01-1

Chemical Property of Di[1,1'-biphenyl]-4-yl(hydroxy)acetic acid

Chemical Property:

• Vapor Pressure: 8.43E-15mmHg at 25°C
• Boiling Point: 590.7°C at 760 mmHg
• Flash Point: 325.1°C
• PSA: 57.53000
• Density: 1.231g/cm³
• LogP: 5.34110
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 380.14124450
• Heavy Atom Count: 29
• Complexity: 478

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C(=O)O)O

Technology Process of Di[1,1'-biphenyl]-4-yl(hydroxy)acetic acid

There total 8 articles about Di[1,1'-biphenyl]-4-yl(hydroxy)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:

4,4'-diphenylbenzil (4746-80-9) → 4,4'-diphenyl-benzilic acid (6334-91-4)

Guidance literature:

With potassium hydroxide; ethanol; benzene;

DOI:10.1021/ja01326a064

Reference yield:

4,4'-diphenylbenzophenone (3478-90-8) → 4,4'-diphenyl-benzilic acid (6334-91-4)

Guidance literature:

With diethyl ether; sodium; benzene; anschliessend Behandeln mit Kohlendioxid;

DOI:10.1557/mrs2001.65

Reference yield:

4,4'-diphenylbenzoin (5623-25-6) → 4,4'-diphenyl-benzilic acid (6334-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1: copper sulfate; diluted pyridine

2: magnesium iodide; magnesium; diethyl ether / weiteres Reagens: Benzol; Einleiten von Luft, Zersetzen mit Wasser und Verseifen mit Kalilauge

With pyridine; copper(I) sulfate; diethyl ether; copper(II) sulfate; magnesium; magnesium iodide;

upstream raw materials:

4,4'-diphenylbenzophenone

4,4'-diphenylbenzil

carbon dioxide

4,4'-diphenylbenzoin

Downstream raw materials:

4,4'-diphenyl-benzilic acid methyl ester

bis-biphenyl-4-yl-chloro-acetyl chloride