trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid

Base Information

• Chemical Name: trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid
• CAS No.: 65355-33-1
• Molecular Formula: C18H32O2
• Molecular Weight: 280.451
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID00967609,DTXSID401186261
• Nikkaji Number: J1.534.646I
• Mol file: 65355-33-1.mol

Synonyms:65355-33-1;trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid;trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid;4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid;4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acid;trans,trans-4'-Pentylbicyclohexyl-4-carboxylic Acid;trans-4-(trans-4-pentylcyclohexyl)cyclohexanecarboxylic acid;(TRANS,TRANS)-4'-PENTYL-[1,1'-BICYCLOHEXYL]-4-CARBOXYLIC ACID;5309-12-6;4'-Pentyl-bicyclohexyl-4-carboxylic acid;4-(4-pentylcyclohexyl)cyclohexanecarboxylic acid;trans-4-(trans-4-Amylcyclohe;SCHEMBL1961977;SCHEMBL1961978;SCHEMBL4159828;SCHEMBL4159836;SCHEMBL9340270;SCHEMBL12918855;DTXSID00967609;DTXSID401186261;AMY25209;MFCD05864408;STK046539;AKOS005384653;AKOS015915087;AKOS024389709;SB66662;NCGC00341499-01;AS-17603;DS-15538;CS-0152363;EU-0000067;FT-0688770;P2437;A24064;F16570;AB01224612-03;trans,trans-4'-Amylbicyclohexyl-4-carboxylic Acid;4'-Pentyl[1,1'-bi(cyclohexane)]-4-carboxylic acid;(1r,4s)-4-cyclohexyl-1-pentylcyclohexanecarboxylic acid;trans,trans-4'-Amyl-1,1'-bicyclohexane-4-carboxylic Acid;trans-4\'-Pentyl-(1,1\'-bicyclohexyl)-4-carboxylic acid;(1r,1's,4R,4'R)-4'-pentylbi(cyclohexane)-4-carboxylic acid;(trans,trans)-4'-Pentyl[1,1'-bicyclohexyl]-4-carboxylic acid;(Trans,Trans)-4-Pentyl-[1,1-Bicyclohexyl]-4-Carboxylic Acid;trans,trans-4'-Pentyl-1,1'-bicyclohexane-4-carboxylic Acid;trans-4-(trans-4-pentylcyclohexyl)-cyclohexanecarboxylic acid;4'beta-Pentyl-1beta,1'beta-bicyclohexane-4alpha-carboxylic acid;[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-pentyl-, (trans,trans)-

Chemical Property of trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid

Chemical Property:

• Boiling Point: 400.2±13.0 °C(Predicted)
• PKA: 4.90±0.10(Predicted)
• Flash Point: 193oC
• PSA: 37.30000
• Density: 0.980±0.06 g/cm3(Predicted)
• LogP: 5.26410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 280.240230259
• Heavy Atom Count: 20
• Complexity: 284

Purity/Quality:

99%, ^*data from raw suppliers

trans-4''-Pentyl-(1,1''-bicyclohexyl)-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid

There total 4 articles about trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic 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: 80.0%

4-(Trans-4'-pentylcyclohexyl)-benzoic acid (65355-30-8) → trans-4-cyclohexyl-1-carboxylic acid (65355-33-1)

Guidance literature:

4-(Trans-4'-pentylcyclohexyl)-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:

4-n-pentyl-trans,trans-bicyclohexyl-4'-carbonitrile (65355-36-4) → trans-4-cyclohexyl-1-carboxylic acid (65355-33-1)

Guidance literature:

With sulfuric acid; for 5h; Heating;

Reference yield:

→ (trans,trans)-4′-(n-pentyl)(1,1′bicyclohexyl)-4-carboxylic acid (65355-33-1,82372-79-0)

Guidance literature:

4-(trans-4-n-Pentylcyclohexyl)-benzoesaeure, Hydrierung;

upstream raw materials:

4-n-pentyl-trans,trans-bicyclohexyl-4'-carbonitrile

4-(Trans-4'-pentylcyclohexyl)-benzoic acid

Downstream raw materials:

(R)-Benzyl 2-<4-phenoxy>propanoate

4-n-pentyl-trans,trans-bicyclohexyl-4'-carbonitrile

4-n-pentyl-trans,trans-bicyclohexyl-4'-carbinol

Refernces

• 1、 Liang, J. C.,Cross, J. O.,Chen, L.. "The Synthesis and Liquid Crystal Behavior of p-Benzotrifluoride Compounds III". . p. 199 - 206. Retrieved 2007/10/02.