Benzyl cyclohexanecarboxylate

Base Information

• Chemical Name: Benzyl cyclohexanecarboxylate
• CAS No.: 22733-94-4
• Molecular Formula: C14H18 O2
• Molecular Weight: 218.296
• Hs Code.: 2916209090
• European Community (EC) Number: 245-181-9
• DSSTox Substance ID: DTXSID40945406
• Nikkaji Number: J286.285I
• Wikidata: Q82922745
• Mol file: 22733-94-4.mol

Synonyms:Benzyl cyclohexanecarboxylate;22733-94-4;EINECS 245-181-9;AI3-19661;Cyclohexanecarboxylic acid, phenylmethyl ester;benzylcyclohexanecarboxylate;Cyclohexanecarboxylic acid, benzyl ester;SCHEMBL522278;Benzyl cyclohexanecarboxylate #;DTXSID40945406;AKOS017001343;cyclohexanecarboxylic acid phenylmethyl ester

Chemical Property of Benzyl cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.000591mmHg at 25°C
• Boiling Point: 310.7°Cat760mmHg
• Flash Point: 134.5°C
• PSA: 26.30000
• Density: 1.066g/cm³
• LogP: 3.31010
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl cyclohexanecarboxylate

There total 49 articles about Benzyl cyclohexanecarboxylate 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: 99.0%

benzyl alcohol (100-51-6,185532-71-2) + Cyclohexanecarboxylic acid (98-89-5) → benzyl cyclohexanecarboxylate (22733-94-4)

Guidance literature:

With N-polystyrenylbutylpyridinium triflylimide; zirconium(IV) tetraisopropoxide; Iron(III) isopropoxide; In n-heptane; for 24h; Heating;

DOI:10.1002/adsc.200606126

Reference yield: 99.0%

methyl cyclohexylcarboxylate (4630-82-4) + benzyl alcohol (100-51-6,185532-71-2) → benzyl cyclohexanecarboxylate (22733-94-4)

Guidance literature:

With 1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea; 4-pyrrolidin-1-ylpyridine; In octane; for 6h; Reflux;

DOI:10.1021/ol8005979

Reference yield: 99.0%

1-bromocyclohexanecarbaldehyde (34899-90-6) + benzyl alcohol (100-51-6,185532-71-2) → benzyl cyclohexanecarboxylate (22733-94-4)

Guidance literature:

With 2,5,6,7-tetrahydro-2-phenyl-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-ylidenium chloride; triethylamine; In toluene; at 25 ℃; for 24h;

DOI:10.1021/ja046991o

upstream raw materials:

benzyl chloroformate

Cyclohexanecarboxylic acid

methyl cyclohexylcarboxylate

benzyl alcohol

Downstream raw materials:

1-tert-Butoxycarbonylmethyl-cyclohexanecarboxylic acid benzyl ester