4,4'-Dimethyl[1,1'-biphenyl]-2,2'-dicarboxylic acid

Base Information

• Chemical Name: 4,4'-Dimethyl[1,1'-biphenyl]-2,2'-dicarboxylic acid
• CAS No.: 2941-79-9
• Molecular Formula: C₁₆H₁₄O₄
• Molecular Weight: 270.285
• NSC Number: 60071
• DSSTox Substance ID: DTXSID20289279
• Nikkaji Number: J1.071.737J
• Wikidata: Q48938073
• Mol file: 2941-79-9.mol

Synonyms:4,4'-dimethylbiphenyl-2,2'-dicarboxylic acid;bis3MeBzA

Chemical Property of 4,4'-Dimethyl[1,1'-biphenyl]-2,2'-dicarboxylic acid

Chemical Property:

• Melting Point: 258-260 °C
• Boiling Point: 434°Cat760mmHg
• PKA: 3.61±0.36(Predicted)
• Flash Point: 230.4°C
• PSA: 74.60000
• Density: 1.272g/cm³
• LogP: 3.36680
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

[1,1^-Biphenyl]-2,2^-dicarboxylicacid,4,4^-dimethyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C)C(=O)O)C(=O)O

Technology Process of 4,4'-Dimethyl[1,1'-biphenyl]-2,2'-dicarboxylic acid

There total 6 articles about 4,4'-Dimethyl[1,1'-biphenyl]-2,2'-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:

2-Amino-5-methylbenzoic acid (2941-78-8) + ammonium hydroxide (1336-21-6) + hydrated cupric sulfate + hydroxylamine hydrochloride (5470-11-1) → 4,4'-dimethyl-diphenic acid (2941-79-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; sodium hydrogencarbonate;

Reference yield:

2-Amino-5-methylbenzoic acid (2941-78-8) → 4,4'-dimethyl-diphenic acid (2941-79-9)

Guidance literature:

DOI:10.1021/jo00394a041

Reference yield:

acetic anhydride (108-24-7) → 4,4'-dimethyl-diphenic acid (2941-79-9)

Guidance literature:

With hydrogenchloride; im Einschlussrohr und man kocht das Reaktionsprodukt mit Natronlauge;

upstream raw materials:

2-Amino-5-methylbenzoic acid

acetic anhydride

hydrogenchloride

5-methyl-indole-2,3-dione

Downstream raw materials:

2,7-dimethyl-9-oxo-fluorene-4-carboxylic acid

2′,2,4,4′-biphenyltetracarboxylic acid

2,7-dimethyl-9H-fluoren-9-one

9-benzylidene-2,7-dimethylfluorene