Pentane, 3-(chloromethyl)-

Base Information

• Chemical Name: Pentane, 3-(chloromethyl)-
• CAS No.: 4737-41-1
• Molecular Formula: C6H13Cl
• Molecular Weight: 120.622
• European Community (EC) Number: 627-909-0
• DSSTox Substance ID: DTXSID9063588
• Nikkaji Number: J298.902F
• Wikidata: Q81990851
• Mol file: 4737-41-1.mol

Synonyms:3-(Chloromethyl)pentane;4737-41-1;Pentane, 3-(chloromethyl)-;3-chloromethyl-pentane;Pentane, 3-(chloromethyl);3-chloromethylpentane;2-ethyl-butyl chloride;2-ethyl-1-chlorobutane;SCHEMBL246805;3-(Chloromethyl)pentane, 95%;DTXSID9063588;PQHNRODYYLFLRE-UHFFFAOYSA-;AKOS000262235;FT-0691659;EN300-124123

Chemical Property of Pentane, 3-(chloromethyl)-

Chemical Property:

• Vapor Pressure: 15mmHg at 25°C
• Melting Point: -35.1°C (estimate)
• Refractive Index: n20/D 1.423(lit.)
• Boiling Point: 125°Cat760mmHg
• Flash Point: 25°C
• PSA: 0.00000
• Density: 0.865g/cm³
• LogP: 2.66140
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 120.0705781
• Heavy Atom Count: 7
• Complexity: 31.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Chloromethyl)pentane 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 11

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(CC)CCl

Technology Process of Pentane, 3-(chloromethyl)-

There total 5 articles about Pentane, 3-(chloromethyl)- 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:

2-ethyl-1-butanol (97-95-0) → 3-(chloromethyl)pentane (4737-41-1)

Guidance literature:

With pyridine; thionyl chloride; at 60 - 90 ℃;

Reference yield:

C12H22NO2S2(1+)*Cl2O2P(1-) → C7H13ClOS + 3-(chloromethyl)pentane (4737-41-1)

Guidance literature:

In diethyl ether; acetonitrile; at -5 - 20 ℃;

DOI:10.1055/s-2006-950356

Reference yield:

pyridine (110-86-1) + thionyl chloride (7719-09-7) + 2-ethyl-1-butanol (97-95-0) → 3-(chloromethyl)pentane (4737-41-1)

Guidance literature:

upstream raw materials:

2-ethyl-1-butanol

3-methylpentane

pyridine

thionyl chloride

Downstream raw materials:

1-[5-chloro-2-(2-ethyl-butoxy)-benzyl]-1H-pyrazole-4-carboxylic acid ethyl ester

methanesulfonic acid 5-chloro-2-(2-ethyl-butoxy)-benzyl ester

[5-chloro-2-(2-ethyl-butoxy)-phenyl]-methanol

5-bromo-2-(2-ethylbutoxy)benzaldehyde

Refernces

• 1、 Bruno, Joseph W.,Marks, Tobin J.,Lewis, Frederick D.. "Metal Ion Photoinitiated Addition of Acetonitrile and Methanol to Olefins". . p. 5580 - 5585. Retrieved 2007/10/02.