7-Methylcycloheptatriene

Base Information

• Chemical Name: 7-Methylcycloheptatriene
• CAS No.: 4281-04-3
• Molecular Formula: C8H10
• Molecular Weight: 106.167
• NSC Number: 138653
• UNII: F6Z37STS8F
• DSSTox Substance ID: DTXSID10195491
• Nikkaji Number: J1.097.276K
• Mol file: 4281-04-3.mol

Synonyms:7-methyl-1,3,5-cycloheptatriene

Chemical Property of 7-Methylcycloheptatriene

Chemical Property:

• Vapor Pressure: 5.96mmHg at 25°C
• Boiling Point: 146.1°Cat760mmHg
• Flash Point: 21.9°C
• Density: 0.855g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 106.078250319
• Heavy Atom Count: 8
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC1C=CC=CC=C1

Technology Process of 7-Methylcycloheptatriene

There total 13 articles about 7-Methylcycloheptatriene 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: 14.0%

tropylium bromide (33372-10-0) + methyllithium (917-54-4) → 7-methyl-1,3,5-cycloheptatriene (4281-04-3)

Guidance literature:

In diethyl ether; for 0.5h;

DOI:10.1139/V08-041

Reference yield:

methyl bromide (74-83-9) + tropylium tetrafluoroborate (27081-10-3) → 7-methyl-1,3,5-cycloheptatriene (4281-04-3)

Guidance literature:

methyl bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

tropylium tetrafluoroborate; In tetrahydrofuran; hexane; at -78 - 23 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c01857

Reference yield:

7-methyl-tetracyclo<4.1.0.02,4.03,5>heptane (77429-85-7,77481-22-2) → 7-methyl-1,3,5-cycloheptatriene (4281-04-3)

Guidance literature:

With silver perchlorate; In chloroform-d1; benzene; at 0 ℃;

DOI:10.1016/S0040-4020(01)80119-8

upstream raw materials:

methyl magnesium iodide

7-ethoxy-1,3,5-cycloheptatriene

7-methoxy-1,3,5-cycloheptatriene

methylmagnesium bromide

Downstream raw materials:

7-Methyl-cyclohepta-1,3,5-trienecarboxylic acid amide

anti-3-Methyl-6,7-diaza-exo-tricyclo<3.2.2.0^2,4>non-8-en-6,7-dicarbonsaeure-phenylimid

ethylbenzene

(1-chloroethyl)benzene