ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate

Base Information

• Chemical Name: ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate
• CAS No.: 851394-39-3
• Molecular Formula: C₁₂H₁₈O₄
• Molecular Weight: 226.273
• Mol file: 851394-39-3.mol

Synonyms:ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate

Chemical Property of ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate

There total 2 articles about ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate 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: 53.0%

(+/-)-(1-methyl-2-oxocyclohexyl)acetic acid ethyl ester (104178-54-3) + formic acid ethyl ester (109-94-4) → ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate (851394-39-3)

Guidance literature:

With sodium ethanolate; In diethyl ether; at 20 ℃; for 5h;

DOI:10.1002/hlca.200590016

Reference yield:

2-Methylcyclohexanone (583-60-8) → ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate (851394-39-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / dioxane / 3 h / 95 °C

1.2: 51 percent / dioxane / 2 h / 20 °C

2.1: 53 percent / EtONa / diethyl ether / 5 h / 20 °C

With sodium ethanolate; lithium diisopropyl amide; In 1,4-dioxane; diethyl ether;

DOI:10.1002/hlca.200590016

Reference yield: 90.0%

n-butanethiol (109-79-5) + ethyl [3-(hydroxymethylidene)-1-methyl-2-oxocyclohexyl]acetate (851394-39-3) → ethyl {3-[(butylsulfanyl)methylidene]-1-methyl-2-oxocyclohexyl}acetate

Guidance literature:

With toluene-4-sulfonic acid; In benzene; Heating;

DOI:10.1002/hlca.200590016

upstream raw materials:

(+/-)-(1-methyl-2-oxocyclohexyl)acetic acid ethyl ester

formic acid ethyl ester

2-Methylcyclohexanone

Downstream raw materials:

(4,5,6,7-tetrahydro-7-methyl-1-benzofuran-7-yl)acetic acid