1-(3-Chlorophenyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(3-Chlorophenyl)cyclopropanecarboxylic acid
• CAS No.: 124276-34-2
• Molecular Formula: C10H9ClO2
• Molecular Weight: 196.633
• Hs Code.: 2916399090
• European Community (EC) Number: 828-129-5
• DSSTox Substance ID: DTXSID70588108
• Wikidata: Q82480609
• Mol file: 124276-34-2.mol

Synonyms:1-(3-Chlorophenyl)cyclopropanecarboxylic acid;124276-34-2;1-(3-Chlorophenyl)cyclopropane-1-carboxylic acid;1-(3-chlorophenyl)cyclopropanecarboxylicacid;MFCD07374442;Cyclopropanecarboxylic acid, 1-(3-chlorophenyl)-;SCHEMBL301985;AMY4619;DTXSID70588108;STL507519;AKOS000125431;AB39473;MCULE-6457309829;NCGC00338536-01;SY013376;TS-02786;DB-062232;CS-0038546;EN300-30526;AB01330787-02;Z300085964;1-(3-chlorophenyl)cyclopropanecarboxylic acid, AldrichCPR

Chemical Property of 1-(3-Chlorophenyl)cyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 350.261°C at 760 mmHg
• PKA: 4.11±0.20(Predicted)
• Flash Point: 165.632°C
• PSA: 37.30000
• Density: 1.404g/cm³
• LogP: 2.45620
• Storage Temp.: Room temperature.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.0291072
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chlorophenyl)cyclopropane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC(=CC=C2)Cl)C(=O)O

Technology Process of 1-(3-Chlorophenyl)cyclopropanecarboxylic acid

There total 3 articles about 1-(3-Chlorophenyl)cyclopropanecarboxylic 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: 77.0%

1-(3-chloro-phenyl)cyclopropanecarbonitrile (124276-32-0) → 1-(3-chlorophenyl)cyclopropane-1-carboxylic acid (124276-34-2)

Guidance literature:

1-(3-chloro-phenyl)cyclopropanecarbonitrile; With methanol; sodium hydroxide; water; at 100 ℃; for 8h;

With hydrogenchloride; water;

Reference yield: 62.0%

→ 1-(3-chlorophenyl)cyclopropane-1-carboxylic acid (124276-34-2)

Guidance literature:

Reference yield:

3-chloro-benzeneacetonitrile (1529-41-5) → 1-(3-chlorophenyl)cyclopropane-1-carboxylic acid (124276-34-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide / water / 12 h / 50 °C

2: lithium hydroxide / water; ethylene glycol / 24 h / 100 °C

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; lithium hydroxide; In water; ethylene glycol;

DOI:10.1021/jacs.9b04549

upstream raw materials:

1-(3-chloro-phenyl)cyclopropanecarbonitrile

3-chloro-benzeneacetonitrile

Downstream raw materials:

methyl 1-(3-chlorophenyl)cyclopropanecarboxylate

(1-(3-chlorophenyl)cyclopropyl)methanol

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