trans-4-Butylcyclohexanecarboxylic Acid

Base Information

• Chemical Name: trans-4-Butylcyclohexanecarboxylic Acid
• CAS No.: 38289-28-0
• Molecular Formula: C11H20O2
• Molecular Weight: 184.279
• Hs Code.: 29162090
• European Community (EC) Number: 677-973-9,678-222-8
• UNII: R2PQJ6SF7B,C8XG78Y2T5
• DSSTox Substance ID: DTXSID50959211
• Nikkaji Number: J52.431J,J52.432H,J213.434I
• Wikipedia: Buciclic_acid
• Mol file: 38289-28-0.mol

Synonyms:trans-4-Butylcyclohexanecarboxylic Acid;38289-28-0;4-butylcyclohexanecarboxylic acid;71101-89-8;4-butylcyclohexane-1-carboxylic acid;4-butylcyclohexane carboxylic acid;trans-4-butylcyclohexane carboxylic acid;trans-4-n-Butylcyclohexanecarboxylic acid;4-n-Butylcyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-butyl-, trans-;Bucyclic acid, trans;Bucyclic acid, cis-;trans-4-butylcyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid, 4-butyl-;R2PQJ6SF7B;(1s,4r)-4-butylcyclohexanecarboxylic acid;C8XG78Y2T5;ZHKM-897;Cyclohexanecarboxylic acid, 4-butyl-, cis-;67589-83-7;CDB-2725;Cis-4-butylcyclohexanecarboxylic acid;MFCD00460757;Enamine_005334;Buciclate;Bucyclic acid;UNII-R2PQJ6SF7B;4-BCCA;UNII-C8XG78Y2T5;Oprea1_862776;SCHEMBL1472144;SCHEMBL1507888;SCHEMBL10392569;GTPL11309;DTXSID50959211;BALGERHMIXFENA-AOOOYVTPSA-N;BALGERHMIXFENA-MGCOHNPYSA-N;HMS1409C10;AMY18325;MFCD00059560;STK503669;AKOS001051963;AKOS015915028;AB02363;cis-4-n-butylcyclohexanecarboxylic acid;s10738;cis-4- n-butylcyclohexanecarboxylic acid;AS-10798;BS-22323;PD134020;B1136;B2986;FT-0639453;FT-0694703;4-Butylcyclohexanecarboxylic acid, AldrichCPR;4alpha-Butyl-1alpha-cyclohexanecarboxylic acid;EN300-05857;A24058;S11585;A866493;(1S,4R)-4-BUTYLCYCLOHEXANE-1-CARBOXYLIC ACID;Z56911948;F2191-0238;4-(trans-4-butylcyclohexyl)benzonitrile;trans-4-butyl-(4-cyanophenyl) cyclohexane;V8G

Chemical Property of trans-4-Butylcyclohexanecarboxylic Acid

Chemical Property:

• Vapor Pressure: 0.000623mmHg at 25°C
• Melting Point: 37 °C
• Refractive Index: 1.465
• Boiling Point: 287.7 °C at 760 mmHg
• PKA: 4.92±0.10(Predicted)
• Flash Point: 138.6 °C
• PSA: 37.30000
• Density: 0.973 g/cm³
• LogP: 3.06760
• Storage Temp.: 0-10°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

trans-4-Butylcyclohexanecarboxylic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CCC(CC1)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of trans-4-Butylcyclohexanecarboxylic Acid

There total 5 articles about trans-4-Butylcyclohexanecarboxylic 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: 88.0%

→ trans-4-butylcyclohexanecarboxylic acid (38289-28-0) + trans-4-butylcyclohexane carboxylic acid (71101-89-8)

Guidance literature:

Reference yield: 82.0%

4-butyl benzoic acid (20651-71-2) → trans-4-butylcyclohexanecarboxylic acid (38289-28-0)

Guidance literature:

4-butyl benzoic acid; With sodium hydroxide; hydrogen; In water; at 140 - 150 ℃; for 1h; under 22502.3 - 30003 Torr;

With sodium hydroxide; In water; at 260 - 280 ℃; for 2h; under 22502.3 - 30003 Torr; Further stages.;

DOI:10.1016/j.tetlet.2004.06.117

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 4-butylcyclohexylmagnesium bromide → trans-4-butylcyclohexanecarboxylic acid (38289-28-0)

Guidance literature:

With thionyl chloride; Yield given. Multistep reaction; 1.) -78 deg C, ether, 2.) reflux, 7 h;

upstream raw materials:

4-butyl benzoic acid

trans-4-butylcyclohexane carboxylic acid

carbon dioxide

Downstream raw materials:

trans-1-n-butyl-4-acetylcyclohexane

4-{3-[4-(trans-4-n-butylcyclohexylcarbonyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 4-hexylbenzoate

cis-1-acrylyl-4-n-butylcyclohexene

trans-1-acrylyl-4-n-butylcyclohexane

Refernces

• 1、 -. "Epimerization of 2- or 4- substituted cyclohexanecarboxylic acids". . . Retrieved 2008/06/13.
• 2、 Liang, Jason C.,Cross, Julie O.. "Synthesis and Liquid Crystalline Phases of Pyridazine Derivatives II". . p. 235 - 244. Retrieved 2007/10/02.