1-(4-Chlorophenyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Chlorophenyl)cyclopropanecarboxylic acid
• CAS No.: 72934-37-3
• Molecular Formula: C10H9 Cl O2
• Molecular Weight: 196.633
• Hs Code.: 29163900
• European Community (EC) Number: 277-105-5
• NSC Number: 152142
• DSSTox Substance ID: DTXSID10223228
• Nikkaji Number: J296.420A
• Wikidata: Q69758907
• Mol file: 72934-37-3.mol

Synonyms:1-(4-Chlorophenyl)cyclopropanecarboxylic acid;72934-37-3;1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID;1-(4-chlorophenyl)cyclopropane-1-carboxylic acid;CYCLOPROPANECARBOXYLIC ACID, 1-(4-CHLOROPHENYL)-;1-(p-Chlorophenyl)cyclopropanecarboxylic acid;EINECS 277-105-5;MFCD00001289;SCHEMBL75310;DTXSID10223228;AMY36993;NSC152142;STK735176;AKOS000120647;AB00132;CS-W010578;NSC 152142;NSC-152142;NCGC00338309-01;SY010680;TS-02785;BB 0217976;C2954;FT-0605850;1-(4chloro-phenyl)-cyclopropylcarboxylic acid;EN300-20990;1-(4-chloro-phenyl)-cyclopropylcarboxylic acid;1-(4-chlorophenyl) cyclopropanecarboxylic acid;1-(4-chlorophenyl)cyclo propanecarboxylic acid;1-(4-chlorophenyl)cyclopropane carboxylic acid;E10030;1-(4-chloro-phenyl)-cyclopropanecarboxylic acid;AB01330771-02;1-(4-chlorophenyl)-1-cyclopropane carboxylic acid;A837675;1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBOXYLICACID;Z104485910

Chemical Property of 1-(4-Chlorophenyl)cyclopropanecarboxylic acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 4.33E-05mmHg at 25°C
• Melting Point: 152-155 °C
• Refractive Index: 1.5152 (estimate)
• Boiling Point: 152-155°C
• PKA: 4.14±0.20(Predicted)
• Flash Point: 157.4°C
• PSA: 37.30000
• Density: 1.2040 (rough estimate)
• LogP: 2.45620
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• 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: 215

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(4-Chlorophenyl)cyclopropanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/22-41
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=C(C=C2)Cl)C(=O)O
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Technology Process of 1-(4-Chlorophenyl)cyclopropanecarboxylic acid

There total 3 articles about 1-(4-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: 95.0%

1-(4-chlorophenyl)-1-cyclopropanecarbonitrile (64399-27-5) → 3-(4-chlorophenyl)-1-cyclopropanecarboxylic acid (72934-37-3)

Guidance literature:

With sulfuric acid; water; Reflux;

Reference yield:

1-(4-chlorophenyl)cyclopropane-1-carboxamide → 3-(4-chlorophenyl)-1-cyclopropanecarboxylic acid (72934-37-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane;

Reference yield:

p-chlorobenzyl cyanide (140-53-4) → 3-(4-chlorophenyl)-1-cyclopropanecarboxylic acid (72934-37-3)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. KOH / ethanol

With potassium hydroxide; In ethanol;

upstream raw materials:

1-(4-chlorophenyl)-1-cyclopropanecarbonitrile

p-chlorobenzyl cyanide

Downstream raw materials:

1-(4-chloro-3-nitro-phenyl)-1-cyclopropanecarboxylic acid

1-(3-amino-4-methylamino-phenyl)-cyclopropanecarboxylic acid

1-(4-methylamino-3-nitro-phenyl)-1-cyclopropanecarboxylic acid

4-{[6-(1-amino-cyclopropyl)-1-methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)-methyl]-benzonitrile

Refernces

• 1、 Shi, Yongjia,Gao, Qian,Xu, Senmiao. "Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp3)-H Borylation of Cyclopropanes". supporting information. p. 10599 - 10604. Retrieved 2019/08/28.
• 2、 Gieuw, Matthew H.,Leung, Vincent Ming-Yau,Ke, Zhihai,Yeung, Ying-Yeung. "Electrophilic Bromolactonization of Cyclopropyl Diesters Using Lewis Basic Chalcogenide Catalysts". supporting information. p. 4306 - 4311. Retrieved 2018/10/02.