1-Chloro-2,2,4-trimethylpentane

Base Information

• Chemical Name: 1-Chloro-2,2,4-trimethylpentane
• CAS No.: 2371-06-4
• Molecular Formula: C8H17 Cl
• Molecular Weight: 148.676
• Hs Code.: 2903199000
• European Community (EC) Number: 219-139-5
• DSSTox Substance ID: DTXSID80178372
• Nikkaji Number: J213.229J
• Wikidata: Q83048754
• Mol file: 2371-06-4.mol

Synonyms:1-Chloro-2,2,4-trimethylpentane;2371-06-4;EINECS 219-139-5;SCHEMBL1249899;DTXSID80178372;AKOS006383613;EN300-674022

Chemical Property of 1-Chloro-2,2,4-trimethylpentane

Chemical Property:

• Vapor Pressure: 3.54mmHg at 25°C
• Boiling Point: 157.6°Cat760mmHg
• Flash Point: 43.5°C
• PSA: 0.00000
• Density: 0.862g/cm³
• LogP: 3.29750
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 148.1018782
• Heavy Atom Count: 9
• Complexity: 74.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)(C)CCl

Technology Process of 1-Chloro-2,2,4-trimethylpentane

There total 5 articles about 1-Chloro-2,2,4-trimethylpentane 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: 20.0%

2,2,4-trimethylpentane (540-84-1) → 1-chloro-2,2,4-trimethyl pentane (2371-06-4)

Guidance literature:

With sulfuryl dichloride; (5,10,15,20-tetrakis(p-methoxyphenyl)-21H,23H-porphyrinate)cobalt(II); In benzene; at 85 ℃;

DOI:10.1016/S0040-4039(00)78223-2

Reference yield:

2,2,4-trimethyl-1-pentanol (123-44-4) → 1-chloro-2,2,4-trimethyl pentane (2371-06-4)

Guidance literature:

With tributylphosphine; chlorine;

DOI:10.1021/jo01349a515

Reference yield:

trimethyl-(2,2,4-trimethyl-pentyloxy)-silane (2350-42-7) → sulfurous acid bis-(2,2,4-trimethyl-pentyl) ester (2371-07-5) + 1-chloro-2,2,4-trimethyl pentane (2371-06-4)

Guidance literature:

With thionyl chloride; quinoline hydrochloride; for 20h; Heating;

DOI:10.1039/jr9650003235

upstream raw materials:

2,2,4-trimethyl-1-pentanol

trimethyl-(2,2,4-trimethyl-pentyloxy)-silane

2,2,4-trimethylpentane