1-Methyl-2-(4-methylbenzyl)benzene

Base Information

• Chemical Name: 1-Methyl-2-(4-methylbenzyl)benzene
• CAS No.: 21895-17-0
• Molecular Formula: C15H16
• Molecular Weight: 196.292
• DSSTox Substance ID: DTXSID001309368
• Nikkaji Number: J530.826G
• Mol file: 21895-17-0.mol

Synonyms:1-Methyl-2-(4-methylbenzyl)benzene;21895-17-0;2,4'-Dimethyldiphenylmethane;BENZENE,1-METHYL-2-[(4-METHYL);Methane, o-tolyl-p-tolyl-;o-Tolyl(p-tolyl)methane;1-methyl-2-[(4-methylphenyl)methyl]benzene;2,4'-Methylenebistoluene;DTXSID001309368;MFCD12973978;1-Methyl-2-(4-methylbenzyl)benzene #;Benzene, 1-methyl-2-[(4-methylphenyl)methyl]-

Chemical Property of 1-Methyl-2-(4-methylbenzyl)benzene

Chemical Property:

• Melting Point: 0.95°C (estimate)
• Refractive Index: 1.5464 (estimate)
• Boiling Point: 288.19°C (estimate)
• PSA: 0.00000
• Density: 0.9811 (estimate)
• LogP: 3.89420
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 196.125200510
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-2-(4-methylbenzyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC2=CC=CC=C2C
• Uses: 1-Methyl-2-(4-methylbenzyl)benzene is used in preparation of N-heterocyclic carbene-palladium complexes for Suzuki-Miyaura coupling reaction of benzyl chlorides with arylboronic acids to afford diarylmethanes.

Technology Process of 1-Methyl-2-(4-methylbenzyl)benzene

There total 36 articles about 1-Methyl-2-(4-methylbenzyl)benzene 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: 95.0%

2-Fluorotoluene (95-52-3) + 4-Methylbenzyl chloride (104-82-5) → p-(2-methylbenzyl)toluene (21895-17-0)

Guidance literature:

With C₂₃H₄₀Br₂N₂NiO₅P; magnesium; In tetrahydrofuran; at 60 ℃; for 12h; Inert atmosphere;

Reference yield: 94.0%

2-methylchlorobenzene (95-49-8) + 4-Methylbenzyl chloride (104-82-5) → p-(2-methylbenzyl)toluene (21895-17-0)

Guidance literature:

With C₂₃H₄₀Br₂N₂NiO₅P; magnesium; In tetrahydrofuran; at 50 ℃; for 1h; Inert atmosphere;

Reference yield: 78.0%

4-methylphenylboronic acid (5720-05-8) + 1-chloromethyl-2-methylbenzene (552-45-4) → p-(2-methylbenzyl)toluene (21895-17-0)

Guidance literature:

With [Pd(3-[(2,6-diisopropylphenyl)-1-imidazolio]-2-quinoxalinide)(PPh₃)Cl₂]; potassium carbonate; In water; at 100 ℃; for 3h;

DOI:10.1002/ejoc.201701241

upstream raw materials:

(2-methylphenyl)(4-methylphenyl)methanone

4-methyl-benzaldehyde

toluene

1-chloromethyl-2-methylbenzene

Downstream raw materials:

(2-methylphenyl)(4-methylphenyl)methanone

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