(-)-2-Chlorooctane

Base Information

• Chemical Name: (-)-2-Chlorooctane
• CAS No.: 18651-57-5
• Molecular Formula: C8H17Cl
• Molecular Weight: 148.676
• UNII: AH40P8A4OU
• Nikkaji Number: J1.093.458C
• Wikidata: Q27273919
• Mol file: 18651-57-5.mol

Synonyms:(-)-2-Chlorooctane;Octane, 2-chloro-, (R)-;2-Chlorooctane, (R)-;2-Chlorooctane, (-)-;(R)-(-)-2-Chlorooctane;(R)-(-)-2-Octyl chloride;Octane, 2-chloro-, (-)-;Octane, 2-chloro-, (2R)-;UNII-AH40P8A4OU;AH40P8A4OU;Octane, 2-chloro-, (R)-(-)-;18651-57-5;(R)-2-Chlorooctane;(r)-2-chloro-octane;Q27273919

Chemical Property of (-)-2-Chlorooctane

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 148.1018782
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)Cl
• Isomeric SMILES: CCCCCC[C@@H](C)Cl

Technology Process of (-)-2-Chlorooctane

There total 13 articles about (-)-2-Chlorooctane 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: 100.0%

(S)-2-octyl chloroformate (191331-78-9) → trans-2-Octene (13389-42-9) + oct-1-ene (111-66-0,25068-25-1) + (R)-2-chlorooctane (18651-57-5)

Guidance literature:

With hexabutylguanidinium chloride; In neat (no solvent); for 10h;

DOI:10.1016/S0040-4039(97)00626-6

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + diethyl ether (60-29-7,927820-24-4) + (S)-2-Octanol (6169-06-8,113301-48-7,4128-32-9) + trichloroacetonitrile (545-06-2) → trichloroacetamide (594-65-0) + (R)-2-chlorooctane (18651-57-5)

Guidance literature:

Reference yield:

(S)-2-Octanol (6169-06-8,113301-48-7,4128-32-9) + phosphorus pentachloride (10026-13-8,874483-75-7) → oct-1-ene (111-66-0,25068-25-1) + (R)-2-chlorooctane (18651-57-5)

Guidance literature:

at -10 ℃; bei den analogen Reaktionen mit PBr₅ enstehen gleichzeitig Phosphorsaeure-ester und -esterbromide;

DOI:10.1039/jr9460000741

upstream raw materials:

(S)-2-octyl chloroformate

(S)-2-Octanol

chloroform

diethyl ether

Downstream raw materials:

(S)-(+)-(2-Octyl)-(p-tolyl)-sulfid

1-methyl-4-(octan-2-ylsulfonyl)benzene

2-methyloctanoic acid