3,4-Dimethylbiphenyl

Base Information

• Chemical Name: 3,4-Dimethylbiphenyl
• CAS No.: 4433-11-8
• Molecular Formula: C14H14
• Molecular Weight: 182.265
• Hs Code.: 2902909090
• UNII: JJ2R9BWN53
• DSSTox Substance ID: DTXSID00196139
• Nikkaji Number: J824.217H
• Wikidata: Q83069228
• Mol file: 4433-11-8.mol

Synonyms:3,4-DIMETHYLBIPHENYL;1,2-dimethyl-4-phenylbenzene;4433-11-8;3,4-Dimethyl-1,1'-biphenyl;1,1'-Biphenyl, 3,4-dimethyl-;JJ2R9BWN53;3,4-dimethyl-biphenyl;UNII-JJ2R9BWN53;DTXSID00196139;BIPHENYL, 3,4-DIMETHYL-;MFCD00628767;AKOS006275546

Chemical Property of 3,4-Dimethylbiphenyl

Chemical Property:

• Vapor Pressure: 0.00588mmHg at 25°C
• Melting Point: 29.5°C
• Refractive Index: 1.6036
• Boiling Point: 282°Cat760mmHg
• Flash Point: 128.9°C
• PSA: 0.00000
• Density: 0.973g/cm³
• LogP: 3.97040
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 182.109550447
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2)C
• Uses: 3,4-Dimethylbiphenyl is an intermediate in the synthesis of dicarboxylic acid of biphenyls.

Technology Process of 3,4-Dimethylbiphenyl

There total 13 articles about 3,4-Dimethylbiphenyl 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:

para-xylene (106-42-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3,4-dimethylbiphenyl (4433-11-8) + 2,5-dimethylbiphenyl (7372-85-2) + 3,5-dimethylbiphenyl (17057-88-4) + 2,4-dimethyl-1,1'-biphenyl (4433-10-7) + 2,3-dimethyl-1,1'-biphenyl (3864-18-4) + 2,6-dimethyl-1,1′-biphenyl (3976-34-9)

Guidance literature:

at 100 ℃; Product distribution; study of spontaneous decay of tritiated precursors;

Reference yield:

4-amino-o-xylene (95-64-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3,4-dimethylbiphenyl (4433-11-8)

Guidance literature:

With isopentyl nitrite; for 48h; Heating;

DOI:10.1021/jo00294a018

Reference yield:

o-xylene (95-47-6) + phenyltin trichloride (1124-19-2) → 3,4-dimethylbiphenyl (4433-11-8) + 2,3-dimethyl-1,1'-biphenyl (3864-18-4)

Guidance literature:

With copper dichloride; palladium dichloride; In 1,2-dichloro-ethane; at 80 ℃; for 16h; Title compound not separated from byproducts.;

DOI:10.1039/b717251f

upstream raw materials:

o-xylene

phenyl radical

4-amino-o-xylene

benzene

Downstream raw materials:

4-phenylphthalic acid

3-methylbiphenyl-4-carboxylic acid

2,3-Dimethylmaleic anhydride

carbon dioxide

Refernces

• 1、 Huang, Kaimeng,Ke, Xiaona,Wang, Hongkai,Wang, Junying,Zhou, Chenchen,Xu, Xiufang,Liu, Lingyan,Li, Jing. "PtI2-catalyzed cyclization of 3-acyloxy-1,5-enynes with the elimination of HOAc and a benzyl shift: Synthesis of unsymmetrical m-terphenyls". supporting information. p. 4486 - 4493. Retrieved 2015/04/14.
• 2、 Kawai, Hiroshi,Kobayashi, Yasuhiro,Oi, Shuichi,Inoue, Yoshio. "Direct C-H bond arylation of arenes with aryltin reagents catalysed by palladium complexes". . p. 1464 - 1466. Retrieved 2008/12/21.