4,4'-Dimethylbiphenyl

Base Information

• Chemical Name: 4,4'-Dimethylbiphenyl
• CAS No.: 613-33-2
• Molecular Formula: C14H14
• Molecular Weight: 182.265
• Hs Code.: 29029090
• European Community (EC) Number: 210-337-7
• NSC Number: 90464
• UNII: 5J314QOJ2V
• DSSTox Substance ID: DTXSID30210195
• Nikkaji Number: J47.064C
• Wikidata: Q27262355
• Mol file: 613-33-2.mol

Synonyms:4,4'-dimethylbiphenyl

Chemical Property of 4,4'-Dimethylbiphenyl

Chemical Property:

• Appearance/Colour: Crystalline
• Melting Point: 118-120 °C(lit.)
• Refractive Index: 1.5811 (estimate)
• Boiling Point: 295 °C at 760 mmHg
• Flash Point: 129.6 °C
• PSA: 0.00000
• Density: 0.973 g/cm³
• LogP: 3.97040
• Storage Temp.: Store below +30°C.
• Water Solubility.: Insoluble in water.
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 182.109550447
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

4,4''-Bitoluene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C
• Uses: 4,4'-Dimethylbiphenyl is used in the preparation of biphenyl-4,4?-dicarboxylic acid, which acts as a monomer utilized in the synthesis of linear long chain polymer through polycondensation reaction. It is used to prepare 4-(4'-methylphenyl)benzaldehyde by selective photoxygenation reaction using 9-phenyl-10-methylacridinium perchlorate as a catalyst under visible light irradiation.

Technology Process of 4,4'-Dimethylbiphenyl

There total 862 articles about 4,4'-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: 88.0%

2-bromothiophene (1003-09-4) + para-methylphenylmagnesium bromide (4294-57-9) → 2-p-tolylthiophene (16939-04-1) + (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 2,2'-Bithiophene (492-97-7)

Guidance literature:

para-methylphenylmagnesium bromide; With bismuth(III) chloride;

2-bromothiophene; With potassium phosphate; palladium diacetate; triphenylphosphine; In N,N-dimethyl-formamide; at 90 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-0030-1260554

Reference yield: 68.0%

carbon monoxide (201230-82-2) + tetra(p-tolyl)tin (6746-22-1) → bis(p-methylphenyl)-methanone (611-97-2) + (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + p-Toluic acid (99-94-5)

Guidance literature:

With copper diacetate; [Rh₃O(OAc)6(H₂O)3]OAc; In acetic acid; at 25 ℃; for 20h;

DOI:10.1246/bcsj.74.1343

Reference yield: 47.0%

carbon monoxide (201230-82-2) + tributyl(p-tolyl)stannane (31614-66-1) → bis(p-methylphenyl)-methanone (611-97-2) + (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + para-chlorotoluene (106-43-4) + p-Toluic acid (99-94-5)

Guidance literature:

With copper dichloride; palladium dichloride; In acetic acid; at 25 ℃; for 20h;

DOI:10.1246/bcsj.74.1343

upstream raw materials:

4-tolyl iodide

phenylhydrazine

4-methylbenzenediazonium tetrafluoroborate

toluene

Downstream raw materials:

4,4'-Dimethyl-bicyclohexyl

4,4'-diphenic acid

9,10-dicyanoanthracene radical anion

2,6,9,10-tetracyanoanthracene radical anion