Methyl cyanocycloheptylideneacetate

Base Information

• Chemical Name: Methyl cyanocycloheptylideneacetate
• CAS No.: 1567-85-7
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.246
• Hs Code.: 2926909090
• European Community (EC) Number: 216-370-3
• UNII: UV3F7SD59X
• DSSTox Substance ID: DTXSID60166116
• Nikkaji Number: J206.804D
• Mol file: 1567-85-7.mol

Synonyms:Methyl cyanocycloheptylideneacetate;1567-85-7;methyl 2-cyano-2-cycloheptylideneacetate;UV3F7SD59X;EINECS 216-370-3;methyl cyano(cycloheptylidene)acetate;UNII-UV3F7SD59X;DTXSID60166116;Cyanocycloheptylideneacetic acid methyl ester;ACETIC ACID, 2-CYANO-2-CYCLOHEPTYLIDENE-, METHYL ESTER

Chemical Property of Methyl cyanocycloheptylideneacetate

Chemical Property:

• Vapor Pressure: 0.000521mmHg at 25°C
• Boiling Point: 312.7°Cat760mmHg
• Flash Point: 145.7°C
• PSA: 50.09000
• Density: 1.076g/cm³
• LogP: 2.33378
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 286

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=C1CCCCCC1)C#N

Technology Process of Methyl cyanocycloheptylideneacetate

There total 2 articles about Methyl cyanocycloheptylideneacetate 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:

methyl 2-cyanoacetate (105-34-0) + cycloheptanone (502-42-1) → cyano-cycloheptyliden-acetic acid methyl ester (1567-85-7)

Guidance literature:

With piperidine;

Reference yield:

→ cyano-cycloheptyliden-acetic acid methyl ester (1567-85-7)

Guidance literature:

entspr. Cycloalkanon, Methylcyanoacetat;

Reference yield:

ethyl bromide (74-96-4) + cyano-cycloheptyliden-acetic acid methyl ester (1567-85-7) → 2-cyano-2-cyclohept-1-enyl-butyric acid methyl ester (84803-64-5)

Guidance literature:

With ethanol; sodium ethanolate;

upstream raw materials:

methyl 2-cyanoacetate

cycloheptanone

Downstream raw materials:

2-cyano-2-cyclohept-1-enyl-butyric acid methyl ester