3-Chlorocyclobutanecarboxylic acid

Base Information

• Chemical Name: 3-Chlorocyclobutanecarboxylic acid
• CAS No.: 35207-71-7
• Molecular Formula: C5H7 Cl O2
• Molecular Weight: 134.562
• Hs Code.: 2916209090
• European Community (EC) Number: 861-744-7
• DSSTox Substance ID: DTXSID80550391
• Mol file: 35207-71-7.mol

Synonyms:3-chlorocyclobutanecarboxylic acid;35207-71-7;trans-3-Chlorocyclobutanecarboxylic acid;3-CHLOROCYCLOBUTANE-1-CARBOXYLIC ACID;35207-70-6;trans-3-Chlorocyclobutane-1-carboxylic acid;Cyclobutanecarboxylic acid, 3-chloro-;MFCD07366750;MFCD16661183;3-chlorocyclobutanecarboxylic;SCHEMBL301211;DTXSID80550391;UJPLLCVUUMDULO-UHFFFAOYSA-N;AKOS006238569;AKOS006375530;AKOS006375531;trans-3-Chlorocyclobutanecarboxylicacid;3-chloro-cyclobutane-1-carboxylic acid;GS-5439;PB13057;AS-52768;SY024876;SY100388;CS-0047788;CS-0051401;EN300-90453;A25714;P10434;P15601

Chemical Property of 3-Chlorocyclobutanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00568mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 253℃
• Flash Point: 107℃
• PSA: 37.30000
• Density: 1.34
• LogP: 1.08840
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 134.0134572
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

98%min ^*data from raw suppliers

3-Chlorocyclobutanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1Cl)C(=O)O

Technology Process of 3-Chlorocyclobutanecarboxylic acid

There total 7 articles about 3-Chlorocyclobutanecarboxylic 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: 64.0%

3-chlorocyclobutane-1,1-dicarboxylic acid (89639-43-0) → 3-chlorocyclobutane-1-carboxylic acid (35207-71-7)

Guidance literature:

With pyridine; for 18h; Reflux;

DOI:10.1080/00397911.2010.491595

Reference yield:

cyclobutane-1,1'-dicarboxylic acid (5445-51-2) → 3-chlorocyclobutane-1-carboxylic acid (35207-71-7)

Guidance literature:

With sulfuryl dichloride; dibenzoyl peroxide; Yield given. Multistep reaction; 1) benzene, 2) 190-200 deg C;

DOI:10.1016/S0040-4039(01)93396-9

Reference yield:

SO2 Cl2 + cyclobutane-1,1'-dicarboxylic acid (5445-51-2) → 3-chlorocyclobutane-1-carboxylic acid (35207-71-7)

Guidance literature:

With sulfuryl dichloride; In benzene; dibenzoyl peroxide;

upstream raw materials:

3-chlorocyclobutanecarbonitrile

3-chlorocyclobutane-1,1-dicarboxylic acid

cyclobutane-1,1'-dicarboxylic acid

cyclobutane-1,1-dicarboxylic acid dichloride

Downstream raw materials:

cyclobutanemethanol

Refernces

• 1、 Anderson, Edward A.,McNamee, Ryan E.,Thompson, Amber L.. "Synthesis and Applications of Polysubstituted Bicyclo[1.1.0]butanes". supporting information. p. 21246 - 21251. Retrieved 2021/12/27.
• 2、 Lewis, David K.,Hutchinson, Avery,Lever, Steven J.,Spaulding, Eric L.,Bonacorsi Jr., Samuel J.,Baldwin, John E.. "Stereochemistry of the thermal conversion of 1-vinyl-2,3-cis-dideuteriocyclobutane to butadiene and 1,2-dideuterioethylenes". . p. 233 - 237. Retrieved 2007/10/03.