2-Cyclohexen-1-one,2-methyl-3-(2-methylpropoxy)-(9CI)

Base Information

• Chemical Name: 2-Cyclohexen-1-one,2-methyl-3-(2-methylpropoxy)-(9CI)
• CAS No.: 37457-15-1
• Molecular Formula: C11H18O2
• Molecular Weight: 182.263
• Hs Code.: 2914509090
• Mol file: 37457-15-1.mol

Synonyms:2-Cyclohexen-1-one,3-isobutoxy-2-methyl- (6CI,7CI);2-Methyl-3-isobutoxycyclohex-2-enone;3-Isobutoxy-2-methyl-2-cyclohexen-1-one;NSC 246159;

Chemical Property of 2-Cyclohexen-1-one,2-methyl-3-(2-methylpropoxy)-(9CI)

Chemical Property:

• Vapor Pressure: 0.00273mmHg at 25°C
• Refractive Index: 1.465
• Boiling Point: 285.9 °C at 760 mmHg
• Flash Point: 118.8 °C
• PSA: 26.30000
• Density: 0.96 g/cm³
• LogP: 2.68600

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Cyclohexen-1-one,2-methyl-3-(2-methylpropoxy)-(9CI)

There total 3 articles about 2-Cyclohexen-1-one,2-methyl-3-(2-methylpropoxy)-(9CI) 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: 93.0%

2-methylcyclohexane-1,3-dione (1193-55-1) + 2-methyl-propan-1-ol (78-83-1) → 3-isobutoxy-2-methyl-2-cyclohexen-1-one (37457-15-1)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 6h; Heating;

DOI:10.1021/jo00366a025

Reference yield:

1,3-cylohexanedione (504-02-9) → 3-isobutoxy-2-methyl-2-cyclohexen-1-one (37457-15-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / aq.NaOH / 17 h / Heating

2: 93 percent / TsOH*H₂O / benzene / 6 h / Heating

With sodium hydroxide; toluene-4-sulfonic acid; In benzene;

DOI:10.1021/jo00366a025

Reference yield:

→ 3-isobutoxy-2-methyl-2-cyclohexen-1-one (37457-15-1)

Guidance literature:

upstream raw materials:

2-methylcyclohexane-1,3-dione

2-methyl-propan-1-ol

1,3-cylohexanedione

Downstream raw materials:

2,3-dimethylcyclohex-2-en-1-one

2-methyl-3-vinyl-cyclohex-2-enone

(2-methyl-3-oxo-cyclohex-1-enyl)-acetic acid ethyl ester

3-(3-Furan-2-yl-propyl)-2-methyl-cyclohex-2-enone

Refernces

• 1、 -. "SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS". Page/Page column 44. . Retrieved 2008/12/04.
• 2、 Paquette, Leo A.,Sauer, Daryl R.,Cleary, Darryl G.,Kinsella, Mary A.,Blackwell, Christopher M.,Anderson, Lawrence G.. "Application of palladium-catalyzed [3 + 2] cycloaddition technology to the elaboration of kempane diterpenes. Stereocontrolled Synthesis of (±)-3α-hydroxy-7β-kemp-8(9)-en-6-one and (±)-3β-hydroxykemp-7(8)-en-6-one". . p. 7375 - 7387. Retrieved 2007/10/02.