1,1-Cyclobutanedicarbonyl dichloride

Base Information

• Chemical Name: 1,1-Cyclobutanedicarbonyl dichloride
• CAS No.: 51816-01-4
• Molecular Formula: C6H6Cl2O2
• Molecular Weight: 181.018
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID70575811
• Nikkaji Number: J2.152.819F
• Wikidata: Q82465230
• Mol file: 51816-01-4.mol

Synonyms:51816-01-4;1,1-CYCLOBUTANEDICARBONYL DICHLORIDE;SCHEMBL809128;DTXSID70575811;Cyclobutane-1,1-dicarbonyl dichloride

Chemical Property of 1,1-Cyclobutanedicarbonyl dichloride

Chemical Property:

• Boiling Point: 211.1±23.0 °C(Predicted)
• PSA: 34.14000
• Density: 1.487±0.06 g/cm3(Predicted)
• LogP: 1.68750
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.9744848
• Heavy Atom Count: 10
• Complexity: 168

Purity/Quality:

99%, ^*data from raw suppliers

1,1-Cyclobutanedicarbonyldichloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C(=O)Cl)C(=O)Cl

Technology Process of 1,1-Cyclobutanedicarbonyl dichloride

There total 2 articles about 1,1-Cyclobutanedicarbonyl 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:

cyclobutane-1,1'-dicarboxylic acid (5445-51-2) → cyclobutane-1,1-dicarboxylic acid dichloride (51816-01-4)

Guidance literature:

With thionyl chloride; for 3h; Heating;

Reference yield:

→ cyclobutane-1,1-dicarboxylic acid dichloride (51816-01-4)

Guidance literature:

Entspr. Saeure, SOCl2, Rueckfluss, 3 h;

Reference yield: 82.0%

2-chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid p-chlorobenzyl ester (175137-30-1) + cyclobutane-1,1-dicarboxylic acid dichloride (51816-01-4) + tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → 2-[4-(1-phenethylcarbamoyl-cyclobutanecarbonyl)-[1,4]diazepan-1-yl]-4-trifluoromethyl-pyrimidine-5-carboxylic acid 4-chloro-benzyl ester

Guidance literature:

Multistep reaction;

DOI:10.3390/10121438

upstream raw materials:

cyclobutane-1,1'-dicarboxylic acid

Downstream raw materials:

3'-phenyl-spiro[cyclobutane-1,6'-pyrazolo[5,1-b][1,3]oxazine]-2',5',7'-trione

3'-cyclohexyl-spiro[cyclobutane-1,6'-pyrazolo[5,1-b][1,3]oxazine]-2',5',7'-trione

7-(4-Methylphenyl)-6-oxaspiro<3.5>non-7-en-5,9-dion

7-(4-Methoxy-phenyl)-6-oxa-spiro[3.5]non-7-ene-5,9-dione