(1-Chloro-2,2-dimethylpropyl)benzene

Base Information

• Chemical Name: (1-Chloro-2,2-dimethylpropyl)benzene
• CAS No.: 1688-17-1
• Molecular Formula: C11H15Cl
• Molecular Weight: 182.693
• European Community (EC) Number: 846-354-7
• DSSTox Substance ID: DTXSID80514857
• Mol file: 1688-17-1.mol

Synonyms:(1-Chloro-2,2-dimethylpropyl)benzene;1688-17-1;Benzene, (1-chloro-2,2-dimethylpropyl)-;SCHEMBL2789075;DTXSID80514857;AMY17504;BAA68817;AKOS010316707;EN300-1258016

Chemical Property of (1-Chloro-2,2-dimethylpropyl)benzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 182.0862282
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1-Chloro-2,2-dimethylpropyl)benzene

There total 10 articles about (1-Chloro-2,2-dimethylpropyl)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: 98.0%

2,2-dimethylpropiophenone (938-16-9) → 1-chloro-2,2-dimethyl-1-phenylpropane (1688-17-1)

Guidance literature:

With triethylsilane; chloro-trimethyl-silane; In ethyl acetate; at 20 ℃; for 5h;

DOI:10.1039/c5cy00067j

Reference yield: 82.0%

2,2-dimethyl-1-phenylpropan-1-ol (3835-64-1) → 1-chloro-2,2-dimethyl-1-phenylpropane (1688-17-1)

Guidance literature:

With thionyl chloride; for 4h; Ambient temperature;

DOI:10.1002/omr.1270211206

Reference yield: 72.0%

(2,2-dimethyl-1-propyl)benzene (1007-26-7) → 1-chloro-2,2-dimethyl-1-phenylpropane (1688-17-1)

Guidance literature:

With thionyl chloride; at 23 ℃;

DOI:10.1021/jo00358a034

upstream raw materials:

2,2-dimethyl-1-phenylpropan-1-ol

trimethyl-(2,2-dimethyl-1-phenylpropoxy)silane

2,2-dimethylpropiophenone

(2,2-dimethyl-1-propyl)benzene

Downstream raw materials:

1-phenyl-2,2-dimethyl-1-propyl bromide

(+/-)-tert-butyl(2,2-dimethyl-1-phenylpropyl)sulfane

2,2-dimethyl-1-(4-nitrophenyl)propan-1-one

(R)-(-)-α-tert-butylphenylacetic acid