1-Methyl-4-methylenecycloheptane

Base Information

• Chemical Name: 1-Methyl-4-methylenecycloheptane
• CAS No.: 23799-25-9
• Molecular Formula: C₉H₁₆
• Molecular Weight: 124.226
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID60946596
• Nikkaji Number: J114.444H
• Mol file: 23799-25-9.mol

Synonyms:1-METHYL-4-METHYLENECYCLOHEPTANE;23799-25-9;Cycloheptane, 1-methyl-4-methylene-;1-methyl-4-methylidenecycloheptane;DTXSID60946596;VZERBYREQOJKQB-UHFFFAOYSA-N;1-Methyl-4-methylenecycloheptane #;AKOS014315764

Chemical Property of 1-Methyl-4-methylenecycloheptane

Chemical Property:

• Vapor Pressure: 4.14mmHg at 25°C
• Boiling Point: 154.1°C at 760 mmHg
• Flash Point: 31.7°C
• PSA: 0.00000
• Density: 0.8g/cm³
• LogP: 3.14280
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 124.125200510
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(=C)CC1

Technology Process of 1-Methyl-4-methylenecycloheptane

There total 2 articles about 1-Methyl-4-methylenecycloheptane 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:

1-methylcyclohexan-4-one (589-92-4) → 1-Methyl-4-methylene-cycloheptane (23799-25-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) aq. KOH, Et₂O, (ii) /BRN= 506746/, EtOH

2: (i) nBuLi, hexane, (ii) /BRN= 2074864/, THF

DOI:10.1021/ja01047a019

Reference yield:

4-methyl-cycloheptanone (5452-36-8) + Methyltriphenylphosphonium bromide (1779-49-3) → 1-Methyl-4-methylene-cycloheptane (23799-25-9)

Guidance literature:

Multistep reaction; (i) nBuLi, hexane, (ii) /BRN= 2074864/, THF;

DOI:10.1021/ja01047a019

upstream raw materials:

4-methyl-cycloheptanone

Methyltriphenylphosphonium bromide

1-methylcyclohexan-4-one