1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid

Base Information

• Chemical Name: 1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid
• CAS No.: 151157-45-8
• Molecular Formula: C11H11ClO2
• Molecular Weight: 210.65700
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10693225
• Wikidata: Q82622258
• Mol file: 151157-45-8.mol

Synonyms:1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid;151157-45-8;1-(2-CHLOROPHENYL)CYCLOBUTANECARBOXYLIC ACID;MFCD11037039;1-(2-Chlorophenyl)-cyclobutanecarboxylic acid;SCHEMBL19469486;DTXSID10693225;BGA15745;LT0103;AKOS011047922;AB62738;AS-38975;SY101811;CS-0101611;1-(2-Chlorophenyl)cyclobutane-1-carboxylicacid;EN300-263154;A926357;Z858031342

Chemical Property of 1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid

Chemical Property:

• Boiling Point: 358.9±35.0 °C(Predicted)
• PKA: 4.14±0.20(Predicted)
• PSA: 37.30000
• Density: 1.335±0.06 g/cm3(Predicted)
• LogP: 2.84630
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.0447573
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Chlorophenyl)cyclobutane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C2=CC=CC=C2Cl)C(=O)O

Technology Process of 1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid

There total 2 articles about 1-(2-Chlorophenyl)cyclobutane-1-carboxylic 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:

2-Chlorophenylacetonitrile (2856-63-5) → C11H11ClO2 (151157-45-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / dimethyl sulfoxide / 0 - 20 °C

2: potassium hydroxide / ethylene glycol / Reflux

With potassium hydroxide; In ethylene glycol; dimethyl sulfoxide;

DOI:10.1021/acs.jmedchem.5b00702

Reference yield:

1-(2-chlorophenyl)cyclobutane-1-carbonitrile (28049-59-4) → C11H11ClO2 (151157-45-8)

Guidance literature:

With potassium hydroxide; In ethylene glycol; Reflux;

DOI:10.1021/acs.jmedchem.5b00702

Reference yield:

C11H11ClO2 (151157-45-8) → N-(5'-chloro-2',4'-dihydroxyphenyl)-1-(2-chlorophenyl)cyclobutanecarboxyamide

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 20 °C

2: boron tribromide / dichloromethane / -78 - 20 °C

With dmap; boron tribromide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane;

DOI:10.1021/acs.jmedchem.5b00702

upstream raw materials:

2-Chlorophenylacetonitrile

1-(2-chlorophenyl)cyclobutane-1-carbonitrile

Refernces