7-Chloroheptanoyl chloride

Base Information

• Chemical Name: 7-Chloroheptanoyl chloride
• CAS No.: 54771-63-0
• Molecular Formula: C7H12Cl2O
• Molecular Weight: 183.078
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID701311035
• Mol file: 54771-63-0.mol

Synonyms:7-chloroheptanoyl chloride;54771-63-0;SCHEMBL8868518;DTXSID701311035

Chemical Property of 7-Chloroheptanoyl chloride

Chemical Property:

• Boiling Point: 224.7±23.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.116±0.06 g/cm3(Predicted)
• LogP: 2.94110
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 182.0265204
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCl)CCC(=O)Cl

Technology Process of 7-Chloroheptanoyl chloride

There total 1 articles about 7-Chloroheptanoyl chloride 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:

7-chloroheptanoic acid (821-57-8) → 7-chloroheptanoic acid chloride (54771-63-0)

Guidance literature:

With thionyl chloride; In benzene;

DOI:10.1007/BF00847798

Reference yield: 95.0%

7-chloroheptanoic acid chloride (54771-63-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ω-chloroheptanoylbenzene (17734-41-7)

Guidance literature:

With aluminum (III) chloride; at 0 - 20 ℃; for 2.25h;

DOI:10.1134/S1068162010040060

Reference yield: 60.7%

4-cyclohexen-1-ylmorpholine (670-80-4) + 7-chloroheptanoic acid chloride (54771-63-0) → 1-(7-chloroheptanoyl)cyclohexan-2-one (324009-66-7)

Guidance literature:

4-cyclohexen-1-ylmorpholine; 7-chloroheptanoic acid chloride; With triethylamine; In chloroform; at 20 ℃; for 14h;

With sulfuric acid; for 4h; Heating;

DOI:10.1023/B:RUBI.0000043786.12780.8a

upstream raw materials:

7-chloroheptanoic acid

Downstream raw materials:

ω-chloroheptanoylbenzene

(6-Chlorhexyl)-(4-fluorphenyl)-keton

<6-(4-Fluorphenyl)-hexyl>-(4-fluorphenyl)-keton

1-(7-chloroheptanoyl)cyclohexan-2-one