2-Chlorooctadecanoic acid

Base Information

• Chemical Name: 2-Chlorooctadecanoic acid
• CAS No.: 56279-49-3
• Molecular Formula: C18H35ClO2
• Molecular Weight: 318.92200
• DSSTox Substance ID: DTXSID00516737
• Nikkaji Number: J1.523.187D
• Mol file: 56279-49-3.mol

Synonyms:2-chlorooctadecanoic acid

Chemical Property of 2-Chlorooctadecanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 6.54980
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 318.2325580
• Heavy Atom Count: 21
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2-chloro Stearic Acid ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(C(=O)O)Cl

Technology Process of 2-Chlorooctadecanoic acid

There total 6 articles about 2-Chlorooctadecanoic acid 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: 88.0%

stearic acid (57-11-4) → 2-chloro-octadecanoic acid (56279-49-3)

Guidance literature:

With chlorosulfonic acid; chlorine; 7,7',8,8'-tetracyanoquinodimethane; at 150 ℃; for 1.08333h;

DOI:10.1021/jo00156a047

Reference yield:

2-hydroxystearic acid (629-22-1,26531-80-6) → 2-chloro-octadecanoic acid (56279-49-3)

Guidance literature:

With thionyl chloride; at 100 ℃;

DOI:10.1021/ja01240a020

Reference yield:

n-hexadecylmalonic acid (4371-64-6) → 2-chloro-octadecanoic acid (56279-49-3)

Guidance literature:

With sulfuryl dichloride; diethyl ether; Erhitzen der erhaltenen Chlor-hexadexcyl-malonsaeure auf 130-140grad;

upstream raw materials:

n-hexadecylmalonic acid

2-hydroxystearic acid

stearic acid

Octadecanoyl-phosphonic acid dimethyl ester

Downstream raw materials:

2-chloro-octadecanoic acid methyl ester

2-hydroxystearic acid

2-(2-Hydroxyethylamino)octadecanoic acid