[1-(Dichloromethyl)-1-methylpropyl]benzene

Base Information

• Chemical Name: [1-(Dichloromethyl)-1-methylpropyl]benzene
• CAS No.: 36318-77-1
• Molecular Formula: C₁₁H₁₄Cl₂
• Molecular Weight: 217.138
• European Community (EC) Number: 252-972-2
• DSSTox Substance ID: DTXSID70885649
• Nikkaji Number: J319.630E
• Mol file: 36318-77-1.mol

Synonyms:36318-77-1;[1-(Dichloromethyl)-1-methylpropyl]benzene;EINECS 252-972-2;1,1-Dichloro-2-methyl-2-phenylbutane;1,1-Dichloro-2-methyl-2-phenylpropane;Benzene, (1-(dichloromethyl)-1-methylpropyl)-;Benzene, [1-(dichloromethyl)-1-methylpropyl]-;(1-(Dichloromethyl)-1-methylpropyl)benzene;C11H14Cl2;DTXSID70885649;C11-H14-Cl2

Chemical Property of [1-(Dichloromethyl)-1-methylpropyl]benzene

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Boiling Point: 272.4°Cat760mmHg
• Flash Point: 130.1°C
• PSA: 0.00000
• Density: 1.109g/cm³
• LogP: 4.15800
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 216.0472558
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [1-(Dichloromethyl)-1-methylpropyl]benzene

There total 2 articles about [1-(Dichloromethyl)-1-methylpropyl]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:

sec-Butylbenzene (135-98-8,36383-15-0) + phenyl(bromodichloromethyl)mercury (3294-58-4) → [1-(dichloromethyl)-1-methylpropyl]benzene (36318-77-1,49623-26-9)

Guidance literature:

DOI:10.1021/ja00801a039

Reference yield:

3-phenylbutyric acid (4593-90-2,772-17-8) + sodium trichloroacetate (650-51-1) → [1-(dichloromethyl)-1-methylpropyl]benzene (36318-77-1,49623-26-9)

Guidance literature:

Multistep reaction;

DOI:10.1002/jlac.19697290106

Reference yield:

[1-(dichloromethyl)-1-methylpropyl]benzene (36318-77-1,49623-26-9) → 1-Chlor-2-methyl-2-phenylbutan (49623-36-1)

Guidance literature:

With triphenylstannane;

DOI:10.1021/ja00801a039

upstream raw materials:

sec-Butylbenzene

phenyl(bromodichloromethyl)mercury

3-phenylbutyric acid

sodium trichloroacetate

Downstream raw materials:

1-Chlor-2-methyl-2-phenylbutan

α-chloro-β,β-dimethylstyrene

(+/-)-3-methyl-3-phenyl-valeric acid methyl ester