2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)-

Base Information

• Chemical Name: 2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)-
• CAS No.: 24826-71-9
• Molecular Formula: C10H16O
• Molecular Weight: 152.236
• DSSTox Substance ID: DTXSID70439883
• Mol file: 24826-71-9.mol

Synonyms:24826-71-9;2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)-;SCHEMBL3992657;DTXSID70439883

Chemical Property of 2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=O)CCC1C(C)C

Technology Process of 2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)-

There total 9 articles about 2-Cyclohexen-1-one, 3-methyl-4-(1-methylethyl)- 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: 95.0%

3-Ethoxy-6-isopropyl-1-methyl-cyclohex-2-enol → 3-Methyl-4-isopropyl-2-cyclohexen-1-one (24826-71-9,116724-19-7,225221-26-1)

Guidance literature:

With hydrogenchloride; In hexane; water; ethyl acetate;

DOI:10.1021/jo00059a049

Reference yield: 81.0%

(2E)-8-methyl-2,7-nonadien-4-one (75265-37-1) → 3-Methyl-4-isopropyl-2-cyclohexen-1-one (24826-71-9,116724-19-7,225221-26-1)

Guidance literature:

With ethylaluminum dichloride; In n-heptane; dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/ja00538a028

Reference yield:

1-Isopropyl-2-methyl-4-oxo-cyclohex-2-enecarboxylic acid methyl ester (78871-98-4) → piperitone (89-81-6,6091-52-7) + 3-Methyl-4-isopropyl-2-cyclohexen-1-one (24826-71-9,116724-19-7,225221-26-1)

Guidance literature:

With 2,3,4-lutidine; for 6h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1016/0040-4039(81)80117-7

upstream raw materials:

(2E)-8-methyl-2,7-nonadien-4-one

1-Isopropyl-2-methyl-4-oxo-cyclohex-2-enecarboxylic acid methyl ester

2-isopropyl-5-methoxytoluene

3-Ethoxy-6-isopropyl-2-cyclohexen-1-one

Downstream raw materials:

4-Isopropyl-3,3-dimethyl-cyclohexanone