trans-4-Ethylcyclohexanecarboxylic acid

Base Information

• Chemical Name: trans-4-Ethylcyclohexanecarboxylic acid
• CAS No.: 6833-47-2
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• Hs Code.: 29162090
• European Community (EC) Number: 676-757-1,805-829-9
• DSSTox Substance ID: DTXSID80987865
• Nikkaji Number: J1.093.377C,J785.084K
• Mol file: 6833-47-2.mol

Synonyms:trans-4-ethylcyclohexanecarboxylic acid;6833-47-2;4-ethylcyclohexanecarboxylic acid;91328-77-7;4-ethylcyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid, 4-ethyl-;Cyclohexanecarboxylic acid, 4-ethyl-, trans-;MFCD01076323;(1s,4r)-4-ethylcyclohexane-1-carboxylic acid;Bionet2_000662;4-ethyl Hexahydrobenzoic Acid;SCHEMBL178465;SCHEMBL879831;SCHEMBL5533614;SCHEMBL13895639;SCHEMBL14643284;DTXSID80987865;HMS1365O02;AMY18326;MFCD01568857;AKOS006343445;AKOS008967382;AB08223;CS-W018003;SB66332;trans-4-ethyl-cyclohexanecarboxylic acid;trans-4-ethylcyclohexane carboxylic acid;AS-10795;SY005761;Trans-4-Ethyl-cyclohexane carboxylic acid;(1r,4r)-4-ethylcyclohexanecarboxylic acid;TRANS-4-ETHYLCYCLOHEXYLBENZOIC ACID;4alpha-Ethylcyclohexane-1beta-carboxylic acid;CS-0128921;E0904;E0966;FT-0636271;4-ethylcyclohexanecarboxylic acid, AldrichCPR;4-Ethylcyclohexanecarboxylic acid, cis + trans;A24054;EN300-159789;EN300-221923;F16511;F16564;12N-105;trans-(1r,4r)-4-Ethylcyclohexane-1-carboxylic acid;F2167-8041;Z1201620833;trans-4-Ethylcyclohexanecarboxylic acid

Chemical Property of trans-4-Ethylcyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00602mmHg at 25°C
• Melting Point: 48-51 °C
• Refractive Index: 1.463
• Boiling Point: 252.5 °C at 760 mmHg
• PKA: 4.92±0.10(Predicted)
• Flash Point: 120 °C
• PSA: 37.30000
• Density: 0.999 g/cm³
• LogP: 2.28740
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

trans-4-Ethylcyclohexanecarboxylic Acid >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCC(CC1)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of trans-4-Ethylcyclohexanecarboxylic acid

There total 5 articles about trans-4-Ethylcyclohexanecarboxylic 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: 90.0%

p-ethylbenzoic acid (619-64-7) → trans-4-ethylcyclohexane carboxylic acid (6833-47-2,6833-62-1,91328-77-7)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide; for 24h; under 2585.7 Torr;

DOI:10.1016/S0968-0896(97)00058-8

Reference yield:

p-ethylbenzoic acid (619-64-7) → trans-4-ethylcyclohexane-1-carboxylic acid (6833-47-2) + cis-4-ethylcyclohexanecarboxylic acid (6833-62-1)

Guidance literature:

With nickel; Hydrogenation;

DOI:10.2165/00002512-200017060-00004

Reference yield:

p-ethylbenzoic acid (619-64-7) → trans-4-ethylcyclohexane-1-carboxylic acid (6833-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) H₂, 2) SOCl₂ / 1) PtO₂ / 1) 5 kg/cm², r.t.

2: 1) NaH, 2) 2N aq. NaOH / 1) 150 deg C, 2 h, 2) MeOH, 20 deg C, 10 min

With sodium hydroxide; thionyl chloride; hydrogen; sodium hydride; platinum(IV) oxide;

DOI:10.1021/jm00127a006

upstream raw materials:

p-ethylbenzoic acid

4-methylethylbenzene

Downstream raw materials:

(4-ethylcyclohexyl)methanol

Refernces

• 1、 -. "THERAPEUTIC AGENT FOR DIABETES". . . Retrieved 2008/06/13.
• 2、 Shinkai,Nishikawa,Sato,Toi,Kumashiro,Seto,Fukama,Dan,Toyoshoma. "N-(Cyclohexylcarbonyl)-D-phenylalanines and related compounds. A new class of oral hypoglycemic agents. 2". . p. 1436 - 1441. Retrieved 2007/10/02.