Methyl 2-cycloheptylideneacetate

Base Information

• Chemical Name: Methyl 2-cycloheptylideneacetate
• CAS No.: 92984-49-1
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.236
• DSSTox Substance ID: DTXSID90426518
• Mol file: 92984-49-1.mol

Synonyms:methyl 2-cycloheptylideneacetate;92984-49-1;METHYL CYCLOHEPTYLIDENEACETATE;methyl2-cycloheptylideneacetate;SCHEMBL8089816;DTXSID90426518;AKOS023590278;FT-0628719;EN300-100893

Chemical Property of Methyl 2-cycloheptylideneacetate

Chemical Property:

• Vapor Pressure: 0.0433mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 100°C 6mm
• Flash Point: 115.2°C
• PSA: 26.30000
• Density: 1.042g/cm³
• LogP: 2.44000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

95% ^*data from raw suppliers

METHYL CYCLOHEPTYLIDENEACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-cycloheptylideneacetate

There total 3 articles about Methyl 2-cycloheptylideneacetate 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: 71.0%

diethylphosphonoacetic acid methyl ester + cycloheptanone (502-42-1) → cycloheptyliden-acetic acid methyl ester (92984-49-1)

Guidance literature:

In water; benzene;

Reference yield:

trimethyl phosphonoacetate (5927-18-4) + cycloheptanone (502-42-1) → cycloheptyliden-acetic acid methyl ester (92984-49-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)84076-9

Reference yield:

(1-hydroxy-cycloheptyl)-acetic acid methyl ester (61704-67-4) → cycloheptyliden-acetic acid methyl ester (92984-49-1)

Guidance literature:

at 150 - 160 ℃;

upstream raw materials:

trimethyl phosphonoacetate

cycloheptanone

(1-hydroxy-cycloheptyl)-acetic acid methyl ester

Downstream raw materials:

α-(hydroxymethyl)methylenecycloheptane

2-(1-cycloheptenyl)ethyl brosylate

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