2-Chlorooctane, (+)-

Base Information

• Chemical Name: 2-Chlorooctane, (+)-
• CAS No.: 16844-08-9
• Molecular Formula: C8H17 Cl
• Molecular Weight: 148.676
• UNII: 8RNA063SPM
• Nikkaji Number: J64.016F
• Wikidata: Q27270934
• Mol file: 16844-08-9.mol

Synonyms:(S)-2-CHLOROOCTANE;2-Chlorooctane, (+)-;16844-08-9;Octane, 2-chloro-, (S)-;(+)-2-chlorooctane;(s)-2-chloro-octane;UNII-8RNA063SPM;8RNA063SPM;(2S)-2-CHLOROOCTANE;(S)-(+)-2-chlorooctane;(s)-2-octylchloride;2-CHLOROOCTANE, (S)-;Octane, 2-chloro-, (2S)-;SCHEMBL10672543;HKDCIIMOALDWHF-QMMMGPOBSA-N;OCTANE, 2-CHLORO-, D-(+)-;OCTANE, 2-CHLORO-, (S)-(+)-;Q27270934

Chemical Property of 2-Chlorooctane, (+)-

Chemical Property:

• Vapor Pressure: 1.695mmHg at 25°C
• Melting Point: -41.9°C (estimate)
• Refractive Index: 1.4181 (estimate)
• Boiling Point: 173.426°C at 760 mmHg
• Flash Point: 52.474°C
• PSA: 0.00000
• Density: 0.863g/cm³
• LogP: 3.58410
• 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 4 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:

C13H21NO3S (1309251-35-1) → (S)-(+)-2-chlorooctane (16844-08-9) + 3-chlorooctane (1117-79-9) + (R)-2-chlorooctane (18651-57-5)

Guidance literature:

With chloro-trimethyl-silane; iron(III)-acetylacetonate; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/adsc.201000740

Reference yield:

(R)-octan-2-yl methanesulfonate (56772-63-5) → (S)-(+)-2-chlorooctane (16844-08-9) + 4-chlorooctane (999-07-5,116836-11-4,140238-50-2) + 3-chlorooctane (1117-79-9) + (R)-2-chlorooctane (18651-57-5)

Guidance literature:

With chloro-trimethyl-silane; iron(III)-acetylacetonate; In dichloromethane; at 20 ℃; for 120h; Inert atmosphere;

DOI:10.1002/adsc.201000740

Reference yield:

(R)-Octan-2-ol (5978-70-1,113301-48-7,4128-32-9) → (S)-(+)-2-chlorooctane (16844-08-9) + 3-chlorooctane (1117-79-9) + (R)-2-chlorooctane (18651-57-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / 20 °C / Inert atmosphere

2: iron(III)-acetylacetonate; chloro-trimethyl-silane / dichloromethane / 16 h / 20 °C / Inert atmosphere

With chloro-trimethyl-silane; iron(III)-acetylacetonate; triethylamine; In dichloromethane;

DOI:10.1002/adsc.201000740

upstream raw materials:

C₁₃H₂₁NO₃S

(R)-Octan-2-ol

(R)-octan-2-yl methanesulfonate

Downstream raw materials:

(-)-(R)-2-octyltriphenylgermane

Sn(C₆H₅)3(CH₃CHCH₂CH₂CH₂CH₂CH₂CH₃)

(S)-4-[(1-methylheptyl)oxy]phenol 4'-(6-acryloxyhexyloxy)-[1,1'-biphenyl]-4-carboxylate

(S)-4-[(1-methylheptyl)oxy]phenol