Methyl (cyclohex-1-en-1-yl)acetate

Base Information

• Chemical Name: Methyl (cyclohex-1-en-1-yl)acetate
• CAS No.: 53723-52-7
• Molecular Formula: C9H14O2
• Molecular Weight: 154.209
• DSSTox Substance ID: DTXSID70453342
• Nikkaji Number: J89.813I
• Wikidata: Q82274464
• Mol file: 53723-52-7.mol

Synonyms:53723-52-7;methyl 2-cyclohex-enylacetate;SCHEMBL472083;DTXSID70453342;Methyl (cyclohex-1-en-1-yl)acetate;AKOS017380377;(1-Cyclohexenyl)acetic acid methyl ester

Chemical Property of Methyl (cyclohex-1-en-1-yl)acetate

Chemical Property:

• PSA: 26.30000
• LogP: 2.04990
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 154.099379685
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CCCCC1

Technology Process of Methyl (cyclohex-1-en-1-yl)acetate

There total 17 articles about Methyl (cyclohex-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: 99.0%

methanol (67-56-1) + 1-cyclohexenylacetonitrile (6975-71-9) → methyl 1-cyclohexene-1-acetate (53723-52-7)

Guidance literature:

With sulfuric acid; for 72h; Heating;

DOI:10.1016/S0040-4020(01)00817-1

Reference yield: 88.0%

Cyclohex-1-enyl-methanesulfonyloxy-acetic acid methyl ester → methyl 1-cyclohexene-1-acetate (53723-52-7)

Guidance literature:

With diphenyl diselenide; sodium perchlorate; diethyl malonate; In N,N-dimethyl-formamide; at 50 ℃; for 7.3h; electroreduction, 4.4 F mol^-1;

DOI:10.1246/bcsj.65.3200

Reference yield: 78.0%

methyl 2-cyclohexylideneacetate (40203-74-5) → methyl 1-cyclohexene-1-acetate (53723-52-7)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

DOI:10.1002/ejoc.200500963

upstream raw materials:

diethyl ether

1-acetyl-trans-1,2-dibromocyclohexane

sodium methylate

methanol

Downstream raw materials:

(+/-)-methyl 2-methylene-1-cyclohexaneacetate

(6-Acetyl-cyclohex-1-enyl)-acetic acid methyl ester

C₁₇H₂₂O₂

C₁₀H₁₆O