1-(4-Chlorophenyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Chlorophenyl)cyclohexanecarboxylic acid
• CAS No.: 58880-37-8
• Molecular Formula: C13H15ClO2
• Molecular Weight: 238.714
• Hs Code.: 29163900
• European Community (EC) Number: 261-481-2
• DSSTox Substance ID: DTXSID90207586
• Nikkaji Number: J308.561I
• Wikidata: Q72456686
• Mol file: 58880-37-8.mol

Synonyms:1-(4-Chlorophenyl)cyclohexanecarboxylic acid;58880-37-8;1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid;1-(4-Chlorophenyl)-1-Cyclohexanecarboxylic Acid;1-(4-Chlorophenyl)-1-cyclohexane-carboxylic acid;Cyclohexanecarboxylic acid, 1-(4-chlorophenyl)-;EINECS 261-481-2;MFCD00019350;SCHEMBL694700;DTXSID90207586;AMY30537;BBL027853;C65H88N12O17;STL315503;AKOS000111651;4-chlorophenylcyclohexanecarboxylic acid;AB90902;4-chlorophenyl cyclohexanecarboxylic acid;C65-H88-N12-O17;NCGC00338409-01;TS-03339;CS-0132701;FT-0605848;1-(4-chlorophenyl) cyclohexanecarboxylic acid;1-(4-chlorophenyl)-cyclohexanecarboxylic acid;EN300-62271;1-(4-chloro phenyl) cyclohexanecarboxylic acid;AB01331098-02;A832059;Z361883578

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

Chemical Property:

• Appearance/Colour: Light grey powder and granules
• Vapor Pressure: 2.04E-06mmHg at 25°C
• Melting Point: 150-156 °C
• Refractive Index: 1.5380 (estimate)
• Boiling Point: 378.9 °C at 760 mmHg
• PKA: 4.34±0.20(Predicted)
• Flash Point: 183 °C
• PSA: 37.30000
• Density: 1.235 g/cm³
• LogP: 3.62650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.0760574
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

1-(4-CHLOROPHENYL)-1-CYCLOHEXANE-CARBOXYLIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)O

Technology Process of 1-(4-Chlorophenyl)cyclohexanecarboxylic acid

There total 4 articles about 1-(4-Chlorophenyl)cyclohexanecarboxylic 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:

1-(4-chloro-phenyl)-4-oxo-cyclohexanecarboxylic acid (854446-73-4) → 1-(4-chlorophenyl)cyclohexane-1-carboxylic acid (58880-37-8)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

DOI:10.1007/BF03251578

Reference yield:

1,5-dibromo-pentane (111-24-0) → 1-(4-chlorophenyl)cyclohexane-1-carboxylic acid (58880-37-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / dimethyl sulfoxide

2: sodium hydroxide / trimethyleneglycol

With sodium hydride; sodium hydroxide; In dimethyl sulfoxide; trimethyleneglycol;

DOI:10.1016/j.bmcl.2011.01.016

Reference yield:

1-(4-chlorophenyl)-1-cyclohexanecarbonitrile (64399-28-6) → 1-(4-chlorophenyl)cyclohexane-1-carboxylic acid (58880-37-8)

Guidance literature:

With sodium hydroxide; In trimethyleneglycol;

DOI:10.1016/j.bmcl.2011.01.016

upstream raw materials:

1-(4-chloro-phenyl)-4-oxo-cyclohexanecarboxylic acid

1,5-dibromo-pentane

1-(4-chlorophenyl)-1-cyclohexanecarbonitrile

p-chlorobenzyl cyanide

Downstream raw materials:

C₁₅H₂₀ClNO

C₁₄H₁₈ClNO

1-(4-chlorophenyl)cyclohexanecarbonyl chloride

1-(4-chlorophenyl)-1-cyclohexanecarboxylic acid methyl ester

Refernces