2-Chloroheptanoic acid

Base Information

• Chemical Name: 2-Chloroheptanoic acid
• CAS No.: 20563-94-4
• Molecular Formula: C₇H₁₃ClO₂
• Molecular Weight: 164.632
• DSSTox Substance ID: DTXSID201023259
• Nikkaji Number: J636.283D
• Mol file: 20563-94-4.mol

Synonyms:2-Chloroheptanoic acid;chloroheptanoic acid;SCHEMBL4252514;DTXSID201023259;20563-94-4

Chemical Property of 2-Chloroheptanoic acid

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(C(=O)O)Cl

Technology Process of 2-Chloroheptanoic acid

There total 1 articles about 2-Chloroheptanoic 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:

1,1,-dichloro-1-heptene (32363-95-4) → α-chloroenanthic acid (20563-94-4) + hexanoic acid (142-62-1)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In water; acetic acid; at 20 ℃; for 12h;

Reference yield:

α-chloroenanthic acid (20563-94-4) + N,N'-Dibenzylethylenediamine (140-28-3,87170-83-0) → 1,4-dibenzyl-3-pentylpiperazin-2-one

Guidance literature:

In acetonitrile; at 100 ℃; for 2h; Time;

DOI:10.1021/acs.orglett.6b02699

Reference yield:

α-chloroenanthic acid (20563-94-4) + N,N'-Dibenzylethylenediamine (140-28-3,87170-83-0) → C23H32N2O2

Guidance literature:

In acetonitrile; at 100 ℃; for 0.333333h; Time;

DOI:10.1021/acs.orglett.6b02699

upstream raw materials:

1,1,-dichloro-1-heptene

Downstream raw materials:

2-aminoheptanoic acid

Refernces