Cyclopentane-1,1-dicarbonyl dichloride

Base Information

• Chemical Name: Cyclopentane-1,1-dicarbonyl dichloride
• CAS No.: 53179-95-6
• Molecular Formula: C7H8Cl2O2
• Molecular Weight: 195.045
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID30575812
• Wikidata: Q82465232
• Mol file: 53179-95-6.mol

Synonyms:cyclopentane-1,1-dicarbonyl dichloride;53179-95-6;cyclopentane-1,1-dicarbonyl chloride;SCHEMBL628624;DTXSID30575812;YYLFLXVROAGUFH-UHFFFAOYSA-N

Chemical Property of Cyclopentane-1,1-dicarbonyl dichloride

Chemical Property:

• PSA: 34.14000
• LogP: 2.07760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.9901349
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C(=O)Cl)C(=O)Cl

Technology Process of Cyclopentane-1,1-dicarbonyl dichloride

There total 3 articles about Cyclopentane-1,1-dicarbonyl dichloride 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: 92.0%

cyclopentane-1,1-dicarboxylic acid (5802-65-3) → cyclopentane-1,1-dicarbonyl dichloride (53179-95-6)

Guidance literature:

With thionyl chloride; for 3h;

Reference yield:

cyclopentane-1,1-dicarboxylic acid diethyl ester (4167-77-5) → cyclopentane-1,1-dicarbonyl dichloride (53179-95-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / 10percent aq. NaOH / 5 h

2: 92 percent / SOCl₂ / 3 h

With sodium hydroxide; thionyl chloride;

Reference yield:

→ cyclopentane-1,1-dicarbonyl dichloride (53179-95-6)

Guidance literature:

upstream raw materials:

cyclopentane-1,1-dicarboxylic acid

cyclopentane-1,1-dicarboxylic acid diethyl ester

Downstream raw materials:

8-Cyclohexyl-7-oxaspiro<4.5>dec-8-en-6,10-dion

9-Benzoyl-8-phenyl-7-oxaspiro<4.5>dec-8-en-6,10-dion