1-Benzyl-3,5-dimethylbenzene

Base Information

• Chemical Name: 1-Benzyl-3,5-dimethylbenzene
• CAS No.: 28122-27-2
• Molecular Formula: C15H16
• Molecular Weight: 196.292
• Hs Code.: 2902909090
• Nikkaji Number: J85.980J
• Wikidata: Q81985086
• Mol file: 28122-27-2.mol

Synonyms:1-Benzyl-3,5-dimethylbenzene;28122-27-2;3,5-Dimethyl-diphenylmethane;3,5-dimethyldiphenylmethane;(3,5-dimethylphenyl)phenylmethane;1-Benzyl-3,5-dimethylbenzene #;RZCMUIOJBYCKPG-UHFFFAOYSA-N;Benzene, 3,5-dimethyl-1-(phenylmethyl)-

Chemical Property of 1-Benzyl-3,5-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.00279mmHg at 25°C
• Melting Point: 0.95°C (estimate)
• Refractive Index: 1.5475 (estimate)
• Boiling Point: 294.8°C at 760 mmHg
• Flash Point: 134°C
• PSA: 0.00000
• Density: 0.974g/cm³
• LogP: 3.89420
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 196.125200510
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)CC2=CC=CC=C2)C

Technology Process of 1-Benzyl-3,5-dimethylbenzene

There total 17 articles about 1-Benzyl-3,5-dimethylbenzene 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: 99.0%

trimethylbenzylammonium bromide (5350-41-4) + 3,5-dimethylphenyl boronic acid (172975-69-8) → 1-benzyl-3,5-dimethylbenzene (28122-27-2)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium phosphate tribasic trihydrate; In isopropyl alcohol; at 20 ℃; for 15h; Temperature; Solvent; Catalytic behavior; Inert atmosphere; Schlenk technique;

DOI:10.1039/c8ra10439e

Reference yield: 96.0%

benzyl tosylate (1024-41-5) + 3,5-dimethylphenyl boronic acid (172975-69-8) → 1-benzyl-3,5-dimethylbenzene (28122-27-2)

Guidance literature:

With NHC-Pd(II)-Im; sodium hydroxide; In tetrahydrofuran; at 100 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1039/c4ob02675f

Reference yield: 92.0%

(3,5-dimethylphenyl)(phenyl)methanol (13389-71-4) → 1-benzyl-3,5-dimethylbenzene (28122-27-2)

Guidance literature:

With gallium(III) triflate; isopropyl alcohol; for 12h; Glovebox; Reflux;

DOI:10.1002/adsc.201801135

upstream raw materials:

3,5-dimethylbenzophenone

m-xylene

benzyl alcohol

benzyl chloride