2-Chloro-3-methylpentane

Base Information

• Chemical Name: 2-Chloro-3-methylpentane
• CAS No.: 4325-48-8
• Molecular Formula: C6H13Cl
• Molecular Weight: 120.622
• Hs Code.: 2903199000
• European Community (EC) Number: 818-492-8
• DSSTox Substance ID: DTXSID60947149
• Mol file: 4325-48-8.mol

Synonyms:2-Chloro-3-methylpentane;24319-09-3;Pentane, 2-chloro-3-methyl;SCHEMBL7763529;DTXSID60947149;JPFZKJQZKBEPGQ-UHFFFAOYSA-N;AKOS010138947;EN300-842739

Chemical Property of 2-Chloro-3-methylpentane

Chemical Property:

• Vapor Pressure: 23.6mmHg at 25°C
• Melting Point: -35.1°C (estimate)
• Refractive Index: 1.4107
• Boiling Point: 117.7°Cat760mmHg
• Flash Point: 20.8°C
• PSA: 0.00000
• Density: 0.863g/cm³
• LogP: 2.80390
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 120.0705781
• Heavy Atom Count: 7
• Complexity: 43.4

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-2-methylpentane ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38-43
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C)Cl

Technology Process of 2-Chloro-3-methylpentane

There total 7 articles about 2-Chloro-3-methylpentane 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: 54.0%

Methyl isobutyl carbinol (108-11-2,72847-31-5) → 2-chloro 4-methyl pentane (25346-32-1,128399-30-4) + 2-chloro-2-methylpentane (4325-48-8)

Guidance literature:

With mixed metal catalyst derived from Thlaspi; at 25 ℃; for 10h; Reagent/catalyst;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 2-ethyl-1-butanol (97-95-0) → 2-chlorohexane (638-28-8) + 3-chloro-3-methylpentane (918-84-3) + 3-Methylpent-2-ylchlorid (24319-09-3) + 2-chloro-2-methylpentane (4325-48-8)

Guidance literature:

at 80 - 85 ℃; Produkt_.:3-Chlor-3-hexan, 4-Chlor-2-methyl-pentan,3-Chlormethyl-pentan;

Reference yield:

chloroform (67-66-3,8013-54-5) + di(1,1-dimethylbutyloxy)methane (78380-75-3) → 2-Methylpentane (107-83-5) + dichloromethane (75-09-2) + 2-chloro-2-methylpentane (4325-48-8) + 1,1-dimethylbutyl formate + 4,4,5,5-tetramethyloctane (62185-22-2) + 1,1,2,2-tetrachloroethane (79-34-5)

Guidance literature:

With di-tert-butyl peroxide; at 130 ℃; Rate constant; Mechanism;

upstream raw materials:

2-ethyl-1-butanol

propene

2-Methylpentane

chloroform

Downstream raw materials:

2,2-dimethylpentane

2-methyl-2-pentene

2-methyl-2-phenylpentane

2-methylpentan-2-ol