4-Methylbenzhydryl chloride

Base Information

• Chemical Name: 4-Methylbenzhydryl chloride
• CAS No.: 779-14-6
• Molecular Formula: C14H13Cl
• Molecular Weight: 216.71
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80405110
• Nikkaji Number: J736.345A
• Mol file: 779-14-6.mol

Synonyms:779-14-6;4-Methylbenzhydryl chloride;1-[chloro(phenyl)methyl]-4-methylbenzene;1-(Chloro(phenyl)methyl)-4-methylbenzene;1-(4-Methylphenyl)-1-phenylmethylchloride;4-METHYL CHLORODIPHENYLMETHANE;SCHEMBL10799692;DTXSID80405110;AMY13878;AKOS010316702;AB90956;1-(chloro-phenylmethyl)-4-methylbenzene;BS-24388;CS-0210015;FT-0659987;F79732;A839291

Chemical Property of 4-Methylbenzhydryl chloride

Chemical Property:

• Vapor Pressure: 0.000927mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 313 °C
• Flash Point: 138 °C
• PSA: 0.00000
• Density: 1.098
• LogP: 4.32320
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 216.0705781
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

1-(Chloro(phenyl)methyl)-4-methylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methylbenzhydryl chloride

There total 7 articles about 4-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: 100.0%

4-methylphenyl(phenyl)methanol (1517-63-1) → p-methyl-a-phenylbenzylchloride (779-14-6)

Guidance literature:

With hydrogenchloride; calcium chloride; In dichloromethane;

DOI:10.1002/1099-0690(200207)2002:14<2411::AID-EJOC2411>3.0.CO;2-N

Reference yield: 18.0%

4-methylphenyl(phenyl)methanol (1517-63-1) → p-methyl-a-phenylbenzylchloride (779-14-6) + 4,4'-(oxybis(phenylmethylene))bis(methylbenzene) (37858-00-7)

Guidance literature:

With chloro-trimethyl-silane; In dichloromethane;

DOI:10.1016/j.tetlet.2016.04.083

Reference yield:

4-(Phenyl-p-tolyl-methoxy)-benzonitrile (116664-91-6) → p-methyl-a-phenylbenzylchloride (779-14-6)

Guidance literature:

With tetrabutyl-ammonium chloride; In 2,2,2-trifluoroethanol; at 20 ℃; Further Variations:; Solvents; Kinetics; Flash photolysis;

DOI:10.1021/ja045562n

upstream raw materials:

4-methylphenyl(phenyl)methanol

hydrogenchloride

4-(Phenyl-p-tolyl-methoxy)-benzonitrile

C₃₇H₃₇N₄⁽¹⁺⁾*Cl^(1-)

Downstream raw materials:

dimethyl-[2-(phenyl-p-tolyl-methoxy)-ethyl]-amine

1-phenyl-1-(4-methylphenyl)methyl methyl ether

4-(Phenyl-p-tolyl-methoxy)-benzonitrile

3-Chlor-3-methyl-1-(4-methylphenyl)-1-phenylbutan

Refernces

• 1、 Ajvazi, Njomza,Stavber, Stojan. "Direct halogenation of alcohols with halosilanes under catalyst- and organic solvent-free reaction conditions". supporting information. p. 2430 - 2433. Retrieved 2016/05/19.
• 2、 Pajouhesh, Hassan,Feng, Zhong-Ping,Ding, Yanbing,Zhang, Lingyun,Pajouhesh, Hossein,Morrison, Jerrie-Lynn,Belardetti, Francesco,Tringham, Elizabeth,Simonson, Eric,Vanderah, Todd W.,Porreca, Frank,Zamponi, Gerald W.,Mitscher, Lester A.,Snutch, Terrance P.. "Structure-activity relationships of diphenylpiperazine N-type calcium channel inhibitors". scheme or table. p. 1378 - 1383. Retrieved 2010/07/06.