1-Phenylcyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-Phenylcyclohexanecarboxylic acid
• CAS No.: 1135-67-7
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• Hs Code.: 29163900
• European Community (EC) Number: 214-495-8
• NSC Number: 401913
• DSSTox Substance ID: DTXSID50150428
• Nikkaji Number: J1.761B
• Wikidata: Q72501544
• Mol file: 1135-67-7.mol

Synonyms:1-Phenylcyclohexanecarboxylic acid;1135-67-7;1-Phenylcyclohexane-1-carboxylic acid;1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID;Cyclohexanecarboxylic acid, 1-phenyl-;1-phenyl-cyclohexanecarboxylic acid;MFCD00037152;EINECS 214-495-8;SCHEMBL66387;QXXHHHWXFHPNOS-UHFFFAOYSA-;DTXSID50150428;Cyclohexanecarboxylicacid,1-phenyl-;BAA13567;1-Phenylcyclohexanecarboxylic acid #;NSC401913;STL577216;AKOS000345165;1-phenyl-1-cyclohexane carboxylic acid;NSC 401913;NSC-401913;TS-02903;BB 0219776;CS-0128906;FT-0633390;P2180;A803070;AE-562/40987601

Chemical Property of 1-Phenylcyclohexanecarboxylic acid

Chemical Property:

• Appearance/Colour: Beige to brown powder
• Vapor Pressure: 1.28E-05mmHg at 25°C
• Melting Point: 119-124 °C
• Refractive Index: 1.5180 (estimate)
• Boiling Point: 353.9 °C at 760 mmHg
• PKA: 4.45±0.20(Predicted)
• Flash Point: 165 °C
• PSA: 37.30000
• Density: 1.126 g/cm³
• LogP: 2.97310
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

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

1-PhenylcyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenylcyclohexanecarboxylic acid

There total 25 articles about 1-Phenylcyclohexanecarboxylic 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: 91.0%

C14H16O2 → 1-phenyl-cyclohexanecarboxylic acid (1135-67-7)

Guidance literature:

With dihydrogen peroxide; In water; ethyl acetate; at 20 ℃; for 12h; regioselective reaction; Green chemistry;

DOI:10.1002/anie.201609975

Reference yield: 91.0%

carbon dioxide (124-38-9,18923-20-1) + [(1-phenylcyclohexyl)sulfonyl]benzene → 1-phenyl-cyclohexanecarboxylic acid (1135-67-7)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; at 30 ℃; for 6h; Electrolysis;

DOI:10.1021/acs.joc.1c01261

Reference yield: 90.0%

(1-phenylcyclohexyl)methanol (68692-77-3) → 1-phenyl-cyclohexanecarboxylic acid (1135-67-7)

Guidance literature:

With 1-hydroxycyclohexyl phenyl ketone; sodium hydroxide; In 1,2-dimethoxyethane; at 80 ℃; chemoselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.1c02188

upstream raw materials:

1-phenyl-1-cyclohexanecarbonitrile

(1-bromocyclohexyl)(phenyl)methanone

(1-chlorocyclohexyl)(phenyl)methanone

formic acid

Downstream raw materials:

1-(4-nitro-phenyl)-cyclohexanecarboxylic acid

4-iodophenylcyclohexylcarboxylic acid

2-(Diisopropylamino)ethyl 1-phenylcyclohexanecarboxylate Hydrochloride

(1-phenyl-cyclohexyl)-carbamic acid benzyl ester

Refernces

• 1、 Stevens,Farkas. "-". . p. 5352,5354. Retrieved 1952.
• 2、 Tan, Wen-Yun,Lu, Yi,Zhao, Jing-Feng,Chen, Wen,Zhang, Hongbin. "Oxidation of Primary Alcohols and Aldehydes to Carboxylic Acids via Hydrogen Atom Transfer". supporting information. p. 6648 - 6653. Retrieved 2021/09/08.
• 3、 Tng, Jiahui,Lim, Junxian,Wu, Kai-Chen,Lucke, Andrew J.,Xu, Weijun,Reid, Robert C.,Fairlie, David P.. "Achiral Derivatives of Hydroxamate AR-42 Potently Inhibit Class i HDAC Enzymes and Cancer Cell Proliferation". supporting information. p. 5956 - 5971. Retrieved 2020/06/05.