3-chlorocyclobutane-1-carbonyl Chloride

Base Information

• Chemical Name: 3-chlorocyclobutane-1-carbonyl Chloride
• CAS No.: 30494-32-7
• Molecular Formula: C5H6 Cl2 O
• Molecular Weight: 153.00654
• Hs Code.: 2916209090
• European Community (EC) Number: 970-729-5
• Mol file: 30494-32-7.mol

Synonyms:30494-32-7;3-chlorocyclobutane-1-carbonyl Chloride;Cyclobutanecarbonyl chloride, 3-chloro-;3-Chlorocyclobutanecarbonyl chloride;SCHEMBL11820398;3-Chlorocyclobutanecarbonylchloride;EN300-333348;Cyclobutanecarbonyl chloride,3-chloro-(8ci,9ci)

Chemical Property of 3-chlorocyclobutane-1-carbonyl Chloride

Chemical Property:

• Boiling Point: 193.6±33.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 1.76920
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 151.9795702
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

3-chlorocyclobutanecarbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1Cl)C(=O)Cl

Technology Process of 3-chlorocyclobutane-1-carbonyl Chloride

There total 5 articles about 3-chlorocyclobutane-1-carbonyl 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:

3-chlorocyclobutane-1-carboxylic acid (35207-71-7) → 3-chlorocyclobutane carboxylic acid chloride (30494-32-7,38353-16-1)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja00730a022 DOI:10.1002/ijch.199600033

Reference yield:

cyclobutane-1,1'-dicarboxylic acid (5445-51-2) → 3-chlorocyclobutane carboxylic acid chloride (30494-32-7,38353-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) SOCl₂, (PhCO₂)2 / 1.) C₆H₆, 2.) 200 deg C

2: SOCl₂

With thionyl chloride; dibenzoyl peroxide;

DOI:10.1002/ijch.199600033

Reference yield:

3-chlorocyclobutane-1,1-dicarboxylic acid (89639-43-0) → 3-chlorocyclobutane carboxylic acid chloride (30494-32-7,38353-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 18 h / Reflux

2: thionyl chloride / dichloromethane / 1 h / Reflux

With pyridine; thionyl chloride; In dichloromethane;

DOI:10.1080/00397911.2010.491595

upstream raw materials:

3-chlorocyclobutane-1-carboxylic acid

cyclobutane-1,1'-dicarboxylic acid

3-chlorocyclobutanecarbonitrile

3-chlorocyclobutane-1,1-dicarboxylic acid

Downstream raw materials:

3-chlorocyclobutanemethanol

1-(trans-3-chlorocyclobutyl)-2-(2-iodophenyl)ethanone

1-(cis-3-chlorocyclobutyl)-2-(2-iodophenyl)ethanone

1-(2-cyclobut-2-enylallyl)-2-iodobenzene