4-(4-Chlorophenyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 4-(4-Chlorophenyl)cyclohexanecarboxylic acid
• CAS No.: 95233-37-7
• Molecular Formula: C13H15ClO2
• Molecular Weight: 238.714
• Hs Code.: 2916399090
• European Community (EC) Number: 406-380-8,610-473-0,827-166-4
• DSSTox Substance ID: DTXSID80964358
• Nikkaji Number: J561.855J
• Mol file: 95233-37-7.mol

Synonyms:4-(4-Chlorophenyl)cyclohexanecarboxylic acid;49708-81-8;95233-37-7;trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid;4-(4-chlorophenyl)cyclohexane-1-carboxylic Acid;1346600-43-8;(E)-4-(4-chlorophenyl)cyclohexanecarboxylic acid;4-(4'-Chlorophenyl)cyclohexancarboxylic acid;cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid;Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-;Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-;4-(4-CHLOROPHENYL)CYCLOHEXANE CARBOXYLIC ACID;MFCD06797626;trans-4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid;Oprea1_374119;trans-4-(4-Chlorophenyl)cyclohexanecarboxylicacid;SCHEMBL637532;SCHEMBL918204;(1r,4r)-4-(4-Chlorophenyl)cyclohexanecarboxylic acid;SCHEMBL12905598;(1r,4r)-4-(4-chlorophenyl)cyclohexane-1-carboxylic acid;DTXSID80964358;NXXDIEYTMQYWJU-HOMQSWHASA-N;NXXDIEYTMQYWJU-UHFFFAOYSA-N;AMY15196;CCG-41223;MFCD00665919;AKOS005080984;AKOS015999167;AC-6139;CS-W012833;CS-W019411;DS-0937;PS-7612;SB66535;SB66837;(4-Chlorophenyl)cyclohexanecarboxylic acid;SY116250;FT-0616614;FT-0652110;FT-0664893;4-(4-chlorophenyl) cyclohexanecarboxylic acid;4-(4-chlorophenyl)-cyclohexanecarboxylic acid;4-(4-chloro-phenyl)-cyclohexanecarboxylic acid;4-(4-Chlorophenyl)cyclohexan-1-carboxylic acid;E70394;EC 406-380-8;4-(4-chlorophenyl)cyclohexane-l-carboxylic acid;12N-240;4-(4-chlorophenyl)-cyclohexane-1-carboxylic acid;A845245;trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid;J-513486;SR-01000631315-1;trans-4-(4-chlorophenyl)cyclohexane carboxylic acid;trans-4-(p-chlorophenyl)cyclohexane carboxylic acid;trans 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid;4-(4-chlorophenyl)cyclohexanecarboxylic acid, AldrichCPR;trans 4-(4-chlorophenyl)-cyclohexane-1-carboxylic acid

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

Chemical Property:

• Melting Point: 250 °C
• Boiling Point: 387.1 °C at 760 mmHg
• PKA: 4.80±0.10(Predicted)
• Flash Point: 187.9 °C
• PSA: 37.30000
• Density: 1.225 g/cm³
• LogP: 3.69840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.0760574
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

98%99% ^*data from raw suppliers

4-(4-Chlorophenyl)cyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
• Uses: 4-(4-Chlorophenyl)cyclohexanecarboxylic Acid is a reactant used in the synthesis of novel hydrazone derivatives as antimicrobial agents.

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

There total 7 articles about 4-(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: 96.0%

trans-4-(p-chlorophenyl)-1-acetyl-cyclohexane (91161-85-2,95233-36-6) → aqueous sodium hypobromite + trans-4-(p-chlorophenyl)cyclohexane carboxylic acid (95233-37-7,1346600-43-8)

Guidance literature:

With sodium hydroxide; bromine; In 1,4-dioxane;

Reference yield: 89.0%

methyl trans-4-(4-chlorophenyl)cyclohexane-1-carboxylate (128208-09-3) → trans-4-(p-chlorophenyl)cyclohexane carboxylic acid (95233-37-7,1346600-43-8)

Guidance literature:

With water; lithium hydroxide; In methanol; at 20 ℃; for 5h; Reagent/catalyst; Concentration;

Reference yield:

methyl 4-hydroxycyclohexanecarboxylate (3618-03-9,6125-57-1,17449-76-2) → trans-4-(p-chlorophenyl)cyclohexane carboxylic acid (95233-37-7,1346600-43-8)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / dichloromethane / 4.5 h / 0 - 20 °C

2: nickel dichloride; buta-1,3-diene / tetrahydrofuran / 3 h / 0 - 25 °C / Inert atmosphere

3: lithium hydroxide; water / methanol / 5 h / 20 °C

With pyridine; water; buta-1,3-diene; nickel dichloride; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

4-(4-Chloro-phenyl)-cyclohex-3-enecarboxylic acid

bromochlorobenzene

4-oxocyclohexanecarboxylic acid

trans-4-(p-chlorophenyl)-1-acetyl-cyclohexane

Downstream raw materials:

2-[4-(4-chlorophenyl)-cyclohexyl]-3-chloro-1,4-naphthoquinone

[trans-4-(4-chlorophenyl)cyclohexyl]methanol

4-(4-chlorophenyl)cyclohexanecarbaldehyde

C₁₇H₂₄ClNO

Refernces

• 1、 -. "Medicaments for the treatment of toxoplasmosis". . . Retrieved 2008/06/13.
• 2、 -. "Use of 2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-1,4-Naphthoquinone for the treatment of cancer". . . Retrieved 2008/06/13.