(Cyclohept-1-en-1-yl)acetate

Base Information

• Chemical Name: (Cyclohept-1-en-1-yl)acetate
• CAS No.: 826-13-1
• Molecular Formula: C9H14 O2
• Molecular Weight: 154.209
• DSSTox Substance ID: DTXSID40591508
• Mol file: 826-13-1.mol

Synonyms:826-13-1;(Cyclohept-1-en-1-yl)acetate;2-Cyclohepten-1-ol,1-acetat;DTXSID40591508

Chemical Property of (Cyclohept-1-en-1-yl)acetate

Chemical Property:

• PSA: 40.13000
• LogP: 1.01690
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.091554653
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC=C(CC1)CC(=O)[O-]

Technology Process of (Cyclohept-1-en-1-yl)acetate

There total 3 articles about (Cyclohept-1-en-1-yl)acetate 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: 0.48%

Cycloheptene (628-92-2,45509-99-7) → 2-cycloheptenyl acetate (826-13-1) + 2-Cyclohepten-1-one (1121-66-0) + 2-cycloheptenol (79605-67-7,4096-38-2)

Guidance literature:

With tert.-butylhydroperoxide; OAc; In acetic acid; at 25 ℃; for 72h;

DOI:10.1016/S0040-4039(00)85598-7

Reference yield:

Cycloheptene (628-92-2,45509-99-7) → 2-cycloheptenyl acetate (826-13-1) + 2-Cyclohepten-1-one (1121-66-0)

Guidance literature:

With tert.-butylhydroperoxide; tellurium oxide; silver(I) acetate; palladium dichloride; In acetic acid; for 72h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4039(00)97540-3

Reference yield:

Cycloheptene (628-92-2,45509-99-7) + acetic acid (64-19-7,77671-22-8) → 2-cycloheptenyl acetate (826-13-1) + 2-Cyclohepten-1-one (1121-66-0)

Guidance literature:

With tert.-butylhydroperoxide; tellurium oxide; silver(I) acetate; palladium dichloride; In acetic acid; for 72h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4039(00)97540-3

upstream raw materials:

Cycloheptene

acetic acid

Downstream raw materials:

1-[N-(p-toluenesulfonyl)amino]cyclohept-2-en

exo-Bicyclo<5.1.0>octanol-(2)