2-Methylbenzhydryl chloride

Base Information

• Chemical Name: 2-Methylbenzhydryl chloride
• CAS No.: 41870-52-4
• Molecular Formula: C14H13Cl
• Molecular Weight: 216.71
• Hs Code.: 2903999090
• European Community (EC) Number: 431-450-1,692-550-9
• DSSTox Substance ID: DTXSID40445052
• Mol file: 41870-52-4.mol

Synonyms:41870-52-4;2-METHYLBENZHYDRYL CHLORIDE;1-(Chloro(phenyl)methyl)-2-methylbenzene;1-[chloro(phenyl)methyl]-2-methylbenzene;1-(chlorophenylmethyl)-2-methylbenzene;EC 431-450-1;1(-Chlorophenyl-methyl)-2-mehtylbenzene;Chloro(2-methylphenyl)phenylmethane;2-(alpha-Chlorobenzyl)toluene;2-Methyldiphenyl Chloromethane;SCHEMBL10799696;DTXSID40445052;MFCD00972765;AKOS001261297;AKOS016842984;AC-14475;BS-44003;FT-0651834;M2211;1-[chloranyl(phenyl)methyl]-2-methyl-benzene;EN300-22754;D91583;A809983;J-504126;Z147647276

Chemical Property of 2-Methylbenzhydryl chloride

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 40 °C
• Refractive Index: 1.576
• Boiling Point: 313.859 °C at 760 mmHg
• Flash Point: 138.551 °C
• PSA: 0.00000
• Density: 1.099 g/cm³
• LogP: 4.32320
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 216.0705781
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

2-Methylbenzhydryl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)Cl

Technology Process of 2-Methylbenzhydryl chloride

There total 9 articles about 2-Methylbenzhydryl chloride 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:

2-methylbenzhydrol (5472-13-9) → α-phenyl-o-methylbenzyl chloride (41870-52-4)

Guidance literature:

With hydrogenchloride; Petroleum ether; benzene;

Reference yield:

2-Methylbenzophenone (131-58-8) → α-phenyl-o-methylbenzyl chloride (41870-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / ethanol

2: SOCl₂ / Ambient temperature

With sodium tetrahydroborate; thionyl chloride; In ethanol;

DOI:10.1021/jm950782k

Reference yield:

ortho-tolylmagnesium bromide (932-31-0) → α-phenyl-o-methylbenzyl chloride (41870-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / diethyl ether

2: SOCl₂

With thionyl chloride; In diethyl ether;

DOI:10.1021/jo00350a014

upstream raw materials:

2-methylbenzhydrol

hydrogenchloride

2-methylphenyl aldehyde

2-Methylbenzophenone

Downstream raw materials:

N,N′-dimethyl-1-phenyl-1-(o-tolyl)methanamine

Dimethyl-[2-(phenyl-o-tolyl-methylsulfanyl)-ethyl]-amine

N-tert-butyl-2-phenyl-2-o-tolylacetamide

Phenyl-o-tolyl-acetylchlorid

Refernces

• 1、 Kline, Richard H.,Izenwasser, Sari,Katz, Jonathan L.,Joseph, David B.,Bowen, Wayne D.,Newman, Amy Hauck. "3'-Chloro-3α-(diphenylmethoxy)tropane but not 4'-chloro-3α- (diphenylmethoxy)tropane produces a cocaine-like behavioral profile". . p. 851 - 857. Retrieved 2007/10/03.
• 2、 Baumgarten, Henry E.,Chiang, Nein-Chu Robert,Elia, Victor J.,Beum, Paul V.. "Reactions of 1-tert-Butyl-3-phenylaziridinone and α-Bromo-N-tert-butylphenylacetamide with Benzyl-Grignard Reagents". . p. 5507 - 5512. Retrieved 2007/10/02.