1-Methylcycloheptene

Base Information

• Chemical Name: 1-Methylcycloheptene
• CAS No.: 1453-25-4
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Hs Code.: 2902199090
• European Community (EC) Number: 215-923-6
• DSSTox Substance ID: DTXSID20162972
• Nikkaji Number: J298.637J
• Mol file: 1453-25-4.mol

Synonyms:1-Methylcycloheptene;1453-25-4;1-Methyl-1-cycloheptene;1-methylcyclohept-1-ene;Cycloheptene, 1-methyl-;EINECS 215-923-6;1-Methyl-1-cycloheptene #;(Z)-1-methylcyclohept-1-ene;DTXSID20162972;Ethyl5-chloropyridine-2-carboxylate;AKOS006275060;FT-0691134;EN300-140766;Z1198147751

Chemical Property of 1-Methylcycloheptene

Chemical Property:

• Vapor Pressure: 8.9mmHg at 25°C
• Refractive Index: 1.4581
• Boiling Point: 137°Cat760mmHg
• Flash Point: 20.6°C
• PSA: 0.00000
• Density: 0.813g/cm³
• LogP: 2.89680
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 90.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCCCC1

Technology Process of 1-Methylcycloheptene

There total 27 articles about 1-Methylcycloheptene 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: 70.0%

methyl iodide (74-88-4) + cycloheptanone (502-42-1) → 1-methylcycloheptene (1453-25-4)

Guidance literature:

methyl iodide; cycloheptanone; With magnesium; In diethyl ether; at 20 ℃; Inert atmosphere;

With potassium hydrogensulfate; Inert atmosphere; Heating;

DOI:10.1021/acs.orglett.1c01922

Reference yield: 25.0%

methylenecycloheptane (2505-03-5) → 1-methylcycloheptene (1453-25-4) + (2-methyl-1-propenyl)cycloheptane

Guidance literature:

With tetrafluoroboric acid; In dichloromethane; at -78 ℃;

DOI:10.1021/ja00386a049

Reference yield:

1,2-cyclooctene (931-88-4,22770-27-0,3958-30-3,25267-51-0) → 1-methylcycloheptene (1453-25-4) + ethylidenecyclohexane (1003-64-1)

Guidance literature:

With WO_3-x; In cyclohexane; at 70 ℃; for 36h; under 760.051 Torr; Inert atmosphere; Irradiation;

DOI:10.1016/S1872-2067(21)63815-9

upstream raw materials:

1-methylcycloheptanol

acetic acid-(1-methyl-cycloheptyl ester)

acetic acid cycloheptylmethyl ester

cis and trans-2-methylcycloheptanol

Downstream raw materials:

2-methylcyclohex-1-ene-1-carbaldehyde

(E)-9-oxo-dec-2-enoic acid

9-oxodecanoic acid

2E-nonene-1,9-dioic acid

Refernces

• 1、 Sun, Xichen,Waclawik, Eric R.,Wang, Yunwei,Zhang, Jin,Zheng, Zhanfeng,Zhu, Pengqi. "Photocatalytic-controlled olefin isomerization over WO3–x using low-energy photons up to 625 nm". . p. 1641 - 1647. Retrieved 2021/06/28.
• 2、 Collins, M. J.,Hatton, P. M.,Sternbell, S.,Tansey, C. W.. "Substituent and Ring Size Dependence of the 4J(Me-C-C-H) Coupling Constant". . p. 824 - 828. Retrieved 2007/10/02.