4-Chloro-2,2-dimethylpentane

Base Information

• Chemical Name: 4-Chloro-2,2-dimethylpentane
• CAS No.: 33429-72-0
• Molecular Formula: C₇H₁₅Cl
• Molecular Weight: 134.649
• DSSTox Substance ID: DTXSID30955054
• Mol file: 33429-72-0.mol

Synonyms:4-Chloro-2,2-dimethylpentane;33429-72-0;SCHEMBL11854352;DTXSID30955054;AKOS014042955

Chemical Property of 4-Chloro-2,2-dimethylpentane

Chemical Property:

• Vapor Pressure: 10.5mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.0862282
• Heavy Atom Count: 8
• Complexity: 61.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)(C)C)Cl

Technology Process of 4-Chloro-2,2-dimethylpentane

There total 6 articles about 4-Chloro-2,2-dimethylpentane 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: 61.0%

2,4-dichloro-2-methyl-pentane (33484-86-5) + dimethyldichlorotitanium(IV) (35739-70-9) → 2-chloro-4,4-dimethylpentane (33429-72-0)

Guidance literature:

Reference yield:

aluminium trichloride (7446-70-0) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + tertiary butyl chloride (507-20-0) → 2-Chlor-2,3-dimethylpentan (59889-45-1) + 3-Chlor-2,3-dimethylpentan (595-38-0) + 2-chloro-4,4-dimethylpentane (33429-72-0) + decyl chloride (1002-69-3)

Guidance literature:

at -38 - -20 ℃;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + tertiary butyl chloride (507-20-0) → 2-Chlor-2,3-dimethylpentan (59889-45-1) + 2-chloro-2,4-dimethyl-pentane (35951-33-8) + 3-Chlor-2,3-dimethylpentan (595-38-0) + 2-chloro-4,4-dimethylpentane (33429-72-0)

Guidance literature:

With aluminium trichloride; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

2,4-dichloro-2-methyl-pentane

dimethyldichlorotitanium(IV)

propene

tertiary butyl chloride

Downstream raw materials:

2,4-dimethylpentane

tertiary butyl chloride

2,2-dimethylpentane