(2-Chloropropyl)benzene

Base Information

• Chemical Name: (2-Chloropropyl)benzene
• CAS No.: 10304-81-1
• Molecular Formula: C9H11Cl
• Molecular Weight: 154.639
• Hs Code.: 2903999090
• NSC Number: 27450
• UNII: C5E5RQY77T
• DSSTox Substance ID: DTXSID80282701
• Nikkaji Number: J100.162K
• Mol file: 10304-81-1.mol

Synonyms:(2-Chloropropyl)benzene;Benzene, (2-chloropropyl)-;10304-81-1;2-chloropropylbenzene;1-Phenyl-2-chloropropane;2-Chloro-1-phenylpropane;Benzene,(2-chloropropyl)-;NSC-27450;C5E5RQY77T;NSC27450;(2-Chloropropyl)-benzene;UNII-C5E5RQY77T;(2-chloro-propyl)-benzene;alpha-methylphenethylchloride;SCHEMBL66064;alpha-methylphenethyl chloride;(1-Chloro-ethyl)methylbenzene;DTXSID80282701;AKOS005216233;AKOS017337429;J-500145;J-500720;J-502683

Chemical Property of (2-Chloropropyl)benzene

Chemical Property:

• Vapor Pressure: 0.27mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 211.1 °C at 760 mmHg
• Flash Point: 79.7 °C
• PSA: 0.00000
• Density: 1.027 g/cm³
• LogP: 2.85640
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 154.0549280
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Chloropropyl)benzene

There total 38 articles about (2-Chloropropyl)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%

3-phenyl-2-propanol (698-87-3,14898-87-4) + 3,3-dichloro-1,2-diphenylcyclopropene (2570-00-5) → 1-phenyl-2-chloropropane (10304-81-1) + diphenylcyclopropenone (886-38-4)

Guidance literature:

In acetonitrile; at 80 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1021/ja906520p

Reference yield: 95.0%

3-phenyl-2-propanol (698-87-3,14898-87-4) → 1-phenyl-2-chloropropane (10304-81-1)

Guidance literature:

With oxalyl dichloride; 1-methyl-3-(2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl)-1H-imidazol-3-ium hexafluorophosphate; at 20 - 60 ℃;

DOI:10.1055/s-0037-1612413

Reference yield: 94.0%

1-phenyl-2-propyl 2-(methoxyethoxyethylcarboxy)-1-benzosulfonate (866942-23-6) → 1-phenyl-2-chloropropane (10304-81-1)

Guidance literature:

With lithium chloride; In acetone; for 8h;

DOI:10.1021/jo051241y

upstream raw materials:

3-phenyl-2-propanol

phenylpropane

allyl alcohol

benzene

Downstream raw materials:

methamphetamin

2-methyl-3-phenylpropanoic acid

(±)-2-methyl-2-phenyl-2,3-dihydro-1H-inden-1-one

allylbenzene

Refernces

• 1、 Koguchi, Shinichi,Shibuya, Yuga,Igarashi, Yusuke,Takemura, Haruka. "Ionic-Liquid-Supported 1,3-Dimethylimidazolidin-2-one: Application as a Reusable Halogenation Reagent". . p. 943 - 946. Retrieved 2019.
• 2、 Desai,V.R. et al.. "-". . p. 30 - 32. Retrieved 1969.
• 3、 Liang, Shengzong,Hammond, Gerald B.,Xu, Bo. "Metal-free regioselective hydrochlorination of unactivated alkenes via a combined acid catalytic system". supporting information. p. 680 - 684. Retrieved 2018/02/14.