4-Butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate

Base Information

• Chemical Name: 4-Butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate
• CAS No.: 87260-25-1
• Molecular Formula: C₂₇H₃₃NO₂
• Molecular Weight: 403.565
• European Community (EC) Number: 289-310-7
• DSSTox Substance ID: DTXSID101007470
• Nikkaji Number: J334.001E
• Mol file: 87260-25-1.mol

Synonyms:87260-25-1;4-Butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate;EINECS 289-310-7;SCHEMBL9648263;SCHEMBL9648274;WYTBUBSHICZERC-AQYVVDRMSA-N;DTXSID101007470;NS00064971;4-Butyl-2-cyanophenyl 4-(4-propylcyclohexyl)benzoate

Chemical Property of 4-Butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate

Chemical Property:

• Vapor Pressure: 4.51E-13mmHg at 25°C
• Boiling Point: 571.5°Cat760mmHg
• Flash Point: 292.1°C
• PSA: 50.09000
• Density: 1.08g/cm³
• LogP: 7.19398
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 403.251129295
• Heavy Atom Count: 30
• Complexity: 563

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC)C#N

Technology Process of 4-Butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate

There total 2 articles about 4-Butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate 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:

5-butyl-2-hydroxybenzonitrile (52899-63-5) + trans-4-(4-Propylcyclohexyl)benzoesaeurechlorid (81005-00-7) → 4-(4-Propyl-cyclohexyl)-benzoic acid 4-butyl-2-cyano-phenyl ester (87260-25-1)

Guidance literature:

With pyridine; In benzene; at 60 ℃; for 2h;

Reference yield:

→ 2-cyano-4-n-butylphenyl 4-(4-n-propylcyclohexyl)-benzoate (87260-25-1)

Guidance literature:

upstream raw materials:

5-butyl-2-hydroxybenzonitrile

trans-4-(4-Propylcyclohexyl)benzoesaeurechlorid

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