2-Cyclohexenyl benzoate

Base Information

• Chemical Name: 2-Cyclohexenyl benzoate
• CAS No.: 3352-93-0
• Molecular Formula: C13H14 O2
• Molecular Weight: 202.253
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID70341058
• Nikkaji Number: J133.551K
• Mol file: 3352-93-0.mol

Synonyms:2-Cyclohexenyl benzoate;cyclohex-2-en-1-yl benzoate;3352-93-0;2-Cyclohexen-1-yl benzoate;2-Cyclohexen-1-ol, benzoate;2-cyclo-hexenyl benzoate;2-Cyclohexen-1-yl benzoate #;SCHEMBL11580874;DTXSID70341058;benzoic acid 1-cyclohex-2-enyl ester;AKOS024325857

Chemical Property of 2-Cyclohexenyl benzoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.95210
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 202.099379685
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC(C1)OC(=O)C2=CC=CC=C2

Technology Process of 2-Cyclohexenyl benzoate

There total 78 articles about 2-Cyclohexenyl 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: 99.0%

benzoic acid (65-85-0,8013-63-6) + cyclohexene (110-83-8) → 2-cyclohexenyl benzoate (3352-93-0)

Guidance literature:

With di-tert-butyl peroxide; C₁₁H₂₃N₂⁽¹⁺⁾*Br₄Fe^(1-); In ethyl acetate; at 110 ℃; for 24h;

DOI:10.1016/j.tetlet.2017.05.039

Reference yield: 99.0%

benzoyl chloride (98-88-4) + Cyclohex-2-enol (822-67-3) → 2-cyclohexenyl benzoate (3352-93-0)

Guidance literature:

With pyridine; In dichloromethane; for 17h; Ambient temperature;

DOI:10.1021/jo982463h

Reference yield: 92.0%

cyclohexane (110-82-7,25012-93-5) + benzoic acid (65-85-0,8013-63-6) → 2-cyclohexenyl benzoate (3352-93-0)

Guidance literature:

With tert.-butylhydroperoxide; (6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato)copper(II); In neat (no solvent); at 80 ℃; for 24h; Solvent; Reagent/catalyst; Catalytic behavior; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.ica.2019.119190

upstream raw materials:

benzoic acid

cyclohexene

tert-Butyl peroxybenzoate

trans-1-benzoyloxy-2-bromocyclohexane

Downstream raw materials:

Cyclohex-2-enol

c-2,t-3-dibromo-r-1-cyclohexyl benzoate

t-2,c-3-dibromo-r-1-cyclohexyl benzoate

syn-3-<(Hydroxyphenyl)methyl>cyclohexene