1-Chloro-3-methylbutane

Base Information

• Chemical Name: 1-Chloro-3-methylbutane
• CAS No.: 107-84-6
• Molecular Formula: C5H11 Cl
• Molecular Weight: 106.595
• Hs Code.: 2903199000
• European Community (EC) Number: 203-525-5
• NSC Number: 6528
• UNII: 87D3ZL9F7A
• DSSTox Substance ID: DTXSID2059354
• Nikkaji Number: J5.064D
• Wikidata: Q27269816
• Mol file: 107-84-6.mol

Synonyms:1-CHLORO-3-METHYLBUTANE;Isoamyl chloride;107-84-6;Butane, 1-chloro-3-methyl-;3-Methylbutyl chloride;Isopentyl chloride;4-Chloro-2-methylbutane;1-Chloro-3,3-dimethylpropane;UNII-87D3ZL9F7A;87D3ZL9F7A;NSC 6528;NSC-6528;EINECS 203-525-5;MFCD00013693;isoamylchlorid;1-chlor-3-methylbutan;Butane,1-chloro-3-methyl-;Butano, 1-cloro-3-metil-;ISOAMYL CHLORIDE [MI];SCHEMBL352000;SCHEMBL9258038;DTXSID2059354;NSC6528;STL280307;AKOS000262238;FT-0607620;EN300-19877;D89213;Q27269816

Chemical Property of 1-Chloro-3-methylbutane

Chemical Property:

• Vapor Pressure: 46.2mmHg at 25°C
• Melting Point: -104ºC
• Refractive Index: 1.4090
• Boiling Point: 99-100ºC
• Flash Point: 16ºC
• PSA: 0.00000
• Density: 0,88 g/cm³
• LogP: 2.27130
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 106.0549280
• Heavy Atom Count: 6
• Complexity: 25.1

Purity/Quality:

98%min ^*data from raw suppliers

1-Chloro-3-methylbutane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:Highly flammable.
• Hazard Codes: R11:Highly flammable.
• Statements: 11
• Safety Statements: 16-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCl
• General Description: 1-Chloro-3-methylbutane, also known as isopentyl chloride or isoamyl chloride, is a halogenated hydrocarbon with the molecular formula C5H11Cl. It is commonly used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and fragrances. 1-CHLORO-3-METHYLBUTANE is characterized by its reactivity in nucleophilic substitution reactions, where the chlorine atom can be displaced by various nucleophiles. It is a volatile, colorless liquid with a pungent odor, and its physical properties, such as boiling point and density, are consistent with those of typical alkyl chlorides. Safety precautions are necessary when handling due to its flammability and potential irritant effects.

Technology Process of 1-Chloro-3-methylbutane

There total 34 articles about 1-Chloro-3-methylbutane 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: 92.8%

i-Amyl alcohol (123-51-3) → triisoamyl phosphate (919-62-0) + 1-chloro-3-methylbutane (107-84-6)

Guidance literature:

With zinc(II) phosphide; oxygen; copper dichloride; at 60 ℃; under 750.06 Torr; Title compound not separated from byproducts;

Reference yield: 80.0%

i-Amyl alcohol (123-51-3) → 1-chloro-3-methylbutane (107-84-6)

Guidance literature:

With tetrachlorosilane; In tetrachloromethane; at 25 ℃; for 0.5h;

DOI:10.1080/00304949609356562

Reference yield: 70.4%

triisoamyl phosphite (924-00-5) + N,N-di-n-butyl-2-chloroacetamide (2567-59-1) → 1-chloro-3-methylbutane (107-84-6) + N,N-dibutylcarbamoylmethylphosphonic acid diisoamyl ester

Guidance literature:

at 115 - 140 ℃; for 1h; under 20 - 35 Torr;

upstream raw materials:

1-amino-3-methylbutane

i-Amyl alcohol

methylbutane

isopentyl ether

Downstream raw materials:

2,2'-dipyrrolylketone

3-methyl-1-butyl acetate

isopentyl phenyl ether

isocapronitrile