4-Methylcyclohex-3-en-1-one

Base Information

• Chemical Name: 4-Methylcyclohex-3-en-1-one
• CAS No.: 5259-65-4
• Molecular Formula: C7H10O
• Molecular Weight: 110.156
• Hs Code.: 2914299000
• European Community (EC) Number: 226-065-7
• UNII: 2N24CA5KGM
• DSSTox Substance ID: DTXSID20200565
• Nikkaji Number: J297.960H
• Wikidata: Q72489672
• Mol file: 5259-65-4.mol

Synonyms:4-methylcyclohex-3-en-1-one;4-Acetyl-1-Methyl Cyclohexene

Chemical Property of 4-Methylcyclohex-3-en-1-one

Chemical Property:

• Vapor Pressure: 1.43mmHg at 25°C
• Melting Point: 12°C
• Refractive Index: 1.4652
• Boiling Point: 171°C at 760 mmHg
• Flash Point: 55.5°C
• PSA: 17.07000
• Density: 0.964g/cm³
• LogP: 1.68570
• Storage Temp.: -20?C Freezer
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

99%, ^*data from raw suppliers

4-Methyl-3-cyclohexen-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(=O)CC1
• Uses: A Leinamycin intermediate.

Technology Process of 4-Methylcyclohex-3-en-1-one

There total 25 articles about 4-Methylcyclohex-3-en-1-one 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: 100.0%

2,5-dihydro-4-methylanisole (20023-36-3) → 4-methyl-3-cyclohexen-1-one (5259-65-4)

Guidance literature:

With oxalic acid; In diethyl ether; at 20 ℃; for 1.5h;

Reference yield: 94.0%

1-methoxy-4-methylcyclohexa-1,3-diene (2161-94-6) → 4-methyl-3-cyclohexen-1-one (5259-65-4)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

Reference yield: 86.0%

4-Methyl-1-morpholin-4-yl-cyclohex-3-enecarbonitrile (82297-09-4) → 4-methyl-3-cyclohexen-1-one (5259-65-4)

Guidance literature:

With silver nitrate; In tetrahydrofuran; diethyl ether; water; at 20 ℃; for 1h;

DOI:10.1016/S0040-4020(01)96404-X

upstream raw materials:

p-methylanizole

4-Methoxybenzyl alcohol

Dimethyl-p-toluidine

5-methylbicyclo<3.1.0>hexan-2-one

Downstream raw materials:

4-methyl-1-(1'-carbethoxy)ethylidene-3-cyclohexene

4-methyl-1-isopropenylcyclohex-3-en-1-ol

Cyano-[4-methyl-cyclohex-3-en-(Z)-ylidene]-acetic acid ethyl ester

4-<(Diethylamino)methylene>-1-methyl-1-cyclohexene

Refernces

• 1、 Dorn, Viviana B.,Badajoz, Mercedes A.,Lockhart, María T.,Chopa, Alicia B.,Pierini, Adriana B.. "Synthesis of cyclohexadienylstannanes - Novel example of vinylic SRN1 mechanism: A theoretical and experimental study". . p. 2458 - 2462. Retrieved 2008/09/20.
• 2、 MaGee, David I.,Lee, May Ling. "α-Acetyl- and α-Cyanovinyl 2,4-Dinitrophenyl Carboxylate as Useful Ketene Equivalents for the Diels-Alder Reaction". . p. 786 - 788. Retrieved 2007/10/03.