[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3,3'-dimethyl-

Base Information

• Chemical Name: [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3,3'-dimethyl-
• CAS No.: 93012-35-2
• Molecular Formula: C₁₆H₁₄O₄
• Molecular Weight: 270.285
• Hs Code.: 2917399090
• European Community (EC) Number: 685-011-4
• DSSTox Substance ID: DTXSID90408177
• Nikkaji Number: J901.747J
• Wikidata: Q82213558

Synonyms:93012-35-2;3,3'-Dimethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid;[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3,3'-dimethyl-;3,3'-dimethyl-biphenyl-2,2'-dicarboxylic acid;SCHEMBL3795573;DTXSID90408177;AKOS024331994

Chemical Property of [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3,3'-dimethyl-

Chemical Property:

• PSA: 74.60000
• LogP: 3.36680
• XLogP3: 3.3
• 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:

3,3'-DIMETHYL-BIPHENYL-2,2'-DICARBOXYLIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C2=CC=CC(=C2C(=O)O)C)C(=O)O

Technology Process of [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3,3'-dimethyl-

There total 2 articles about [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 3,3'-dimethyl- 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: 77.0%

ortho-methylbenzoic acid (118-90-1) → 3,3'-Dimethyl-diphensaeure (93012-35-2)

Guidance literature:

With rhodium(III) chloride trihydrate; tetrabutylammonium acetate; In N,N-dimethyl-formamide; at 80 ℃; for 20h; Reagent/catalyst; Solvent; Electrolysis;

DOI:10.1021/acscatal.1c01127

Reference yield:

→ 3,3'-Dimethyl-diphensaeure (93012-35-2)

Guidance literature:

Diazoniumchloridlsg. von 6-Amino-2-methyl-benzoesaeure, 1) ammoniakal. Cu(I)-chlorid-Lsg., 10grad, 30-40 min; dann rasch Δ zum Kochen, 2) Ansaeuern mit 2n-HCl;

upstream raw materials:

ortho-methylbenzoic acid

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