Biphenyl-4,4'-dicarboxylic acid

Base Information

• Chemical Name: Biphenyl-4,4'-dicarboxylic acid
• CAS No.: 787-70-2
• Deprecated CAS: 349484-13-5,1352443-78-7
• Molecular Formula: C14H10O4
• Molecular Weight: 242.231
• Hs Code.: 29173990
• European Community (EC) Number: 284-111-1,212-328-3
• NSC Number: 60016
• UNII: 5D8ABY24N2
• DSSTox Substance ID: DTXSID7061140
• Nikkaji Number: J21.942H
• Wikidata: Q2662185
• ChEMBL ID: CHEMBL3593502
• Mol file: 787-70-2.mol

Synonyms:4,4'-Biphenyldicarboxylicacid (6CI,7CI,8CI);4,4'-Bibenzoic acid;4,4'-Dicarboxybiphenyl;4,4'-Diphenicacid;4,4'-Diphenyldicarboxylic acid;NSC 60016;p,p'-Diphenic acid;[1,1'-Biphenyl]-4,4'-dicarboxylicacid;

Chemical Property of Biphenyl-4,4'-dicarboxylic acid

Chemical Property:

• Appearance/Colour: White to light beige powder
• Melting Point: >300 °C(lit.)
• Boiling Point: 482.5 °C at 760 mmHg
• PKA: 3.77±0.10(Predicted)
• Flash Point: 259.7 °C
• PSA: 74.60000
• Density: 1.347 g/cm³
• LogP: 2.75000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.05790880
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

98% ^*data from raw suppliers

[1,1''-Biphenyl]-4,4''-dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
• Uses: Dendrimer building block.

Technology Process of Biphenyl-4,4'-dicarboxylic acid

There total 54 articles about Biphenyl-4,4'-dicarboxylic 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: 98.6%

(4,4'-dimethyl-1,1'-biphenyl) (613-33-2) → 4,4'-diphenic acid (787-70-2)

Guidance literature:

With oxygen; acetic anhydride; for 17h; Reflux; Large scale; Green chemistry;

Reference yield: 96.6%

4,4'-biphenyldicarboxylic acid dimethyl ester (792-74-5) → 4,4'-diphenic acid (787-70-2)

Guidance literature:

With sulfuric acid; In water; acetic acid; at 120 ℃; for 24h; Reflux;

DOI:10.1149/2.1581707jes

Reference yield: 95.6%

4,4'-bis(trichloromethyl)biphenyl (30061-79-1) → 4,4'-diphenic acid (787-70-2)

Guidance literature:

With water; sodium hydroxide; for 10h; Temperature; Reflux;

upstream raw materials:

n-butyllithium

4-(4-bromophenyl)bromobenzene

(4,4'-dimethyl-1,1'-biphenyl)

(1,1'-biphenyl)-4,4'-dicarbonitrile

Downstream raw materials:

4,4'-biphenyldicarboxylic acid dichloride

4,4'-bis(hydroxymethyl)biphenyl

bis(2,5-dioxopyrrolidin-1-yl) biphenyl-4,4’-dicarboxylate

[Cu(4,4'-biphenyldicarboxylic acid-H)2(1,10-phenanthroline)]

Refernces

• 1、 Yin, Shenxiang,Zheng, Qingshu,Chen, Jie,Tu, Tao. "Acceptorless dehydrogenation of primary alcohols to carboxylic acids by self-supported NHC-Ru single-site catalysts". . p. 165 - 172. Retrieved 2022/03/23.
• 2、 -. "METHOD OF MANUFACTURING BIPHENYLDICARBOXYLIC ACID". Paragraph 0115-0118. . Retrieved 2021/05/25.