2,4'-Dimethylbiphenyl

Base Information

• Chemical Name: 2,4'-Dimethylbiphenyl
• CAS No.: 611-61-0
• Molecular Formula: C14H14
• Molecular Weight: 182.265
• Hs Code.: 2902909090
• European Community (EC) Number: 801-543-3
• UNII: 94Y3VL8TTO
• DSSTox Substance ID: DTXSID00209990
• Nikkaji Number: J127.109A
• Wikidata: Q83084513
• Mol file: 611-61-0.mol

Synonyms:2,4'-Dimethylbiphenyl;611-61-0;2,4'-Dimethyl-1,1'-biphenyl;o,p'-Bitolyl;1,1'-Biphenyl, 2,4'-dimethyl-;1-methyl-2-(4-methylphenyl)benzene;2,4'-Ditolyl;1-methyl-4-(2-methylphenyl)benzene;94Y3VL8TTO;UNII-94Y3VL8TTO;DTXSID00209990;MFCD15042185;AB92842;AS-41072;CS-0454106

Chemical Property of 2,4'-Dimethylbiphenyl

Chemical Property:

• Vapor Pressure: 0.00947mmHg at 25°C
• Melting Point: 24.17°C (estimate)
• Refractive Index: 1.5826
• Boiling Point: 273.6°C at 760 mmHg
• Flash Point: 117.6°C
• PSA: 0.00000
• Density: 0.973g/cm³
• LogP: 3.97040
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 182.109550447
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

2,4''-Dimethylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C
• Uses: 2,4''-Dimethylbiphenyl is used in preparation of para-substituted aryl compounds.

Technology Process of 2,4'-Dimethylbiphenyl

There total 23 articles about 2,4'-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: 77.0%

2-Cyano-4'-methylbiphenyl (114772-53-1) → 4-Methylbiphenyl (644-08-6) + 2,4'-dimethylbiphenyl (611-61-0)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; hydrogen; trimethylaluminum; tricyclohexylphosphine; In toluene; at 130 ℃; for 24h; under 750.075 Torr; Schlenk technique;

DOI:10.1039/c3cc44562c

Reference yield: 75.0%

2-methylphenyl bromide (95-46-5) + 4-methylphenylboronic acid (5720-05-8) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 2,4'-dimethylbiphenyl (611-61-0)

Guidance literature:

With sodium phosphate; In water; isopropyl alcohol; at 27 ℃; for 0.166667h; Time;

DOI:10.3390/molecules26237346

Reference yield: 25.0%

ortho-methylphenyl iodide (615-37-2) + tetra(p-tolyl)tin (6746-22-1) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 2,4'-dimethylbiphenyl (611-61-0)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; at 140 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.joc.6b01648

upstream raw materials:

para-bromotoluene

2-methylphenyl bromide

4-methylbenzenediazonium tetrafluoroborate

toluene

Downstream raw materials:

terephthalic acid

o-tolylbenzoic acid

Refernces

• 1、 -. "PREPARATION OF DIPHENYL COMPOUNDS". Paragraph 0040. . Retrieved 2019/10/29.
• 2、 Zhu, Yi-Wei,Shi, Yi-Xin. "A fluorous ethylenediamine promoted direct C-H arylation of unactivated arenes with aryl halides". supporting information. p. 10 - 13. Retrieved 2016/07/06.