METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE

Base Information

• Chemical Name: METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE
• CAS No.: 54396-74-6
• Molecular Formula: C8H10O3
• Molecular Weight: 154.166
• Hs Code.: 2918300090
• Mol file: 54396-74-6.mol

Synonyms:METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE

Chemical Property of METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE

Chemical Property:

• Boiling Point: 95-100 °C(Press: 1.6 Torr)
• PSA: 43.37000
• Density: 1.169±0.06 g/cm3(Predicted)
• LogP: 0.83880
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

3-OXO-CYCLOHEX-1-ENECARBOXYLICACIDMETHYLESTER 97 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE

There total 20 articles about METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE 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: 92.0%

methyl cyclohex-1-ene-1-carboxylate (18448-47-0) → 3-oxocyclohex-1-ene-1-carboxylic acid methyl ester (54396-74-6)

Guidance literature:

With tert.-butylhydroperoxide; Rh₂(Cap)4; potassium carbonate; In dichloromethane; for 1h;

DOI:10.1021/ja045330o

Reference yield: 92.0%

→ 3-oxocyclohex-1-ene-1-carboxylic acid methyl ester (54396-74-6)

Guidance literature:

Reference yield: 90.0%

methanol (67-56-1) + 3-chloro-2-cyclohexenone (5682-75-7) + carbon monoxide (201230-82-2) → 3-oxocyclohex-1-ene-1-carboxylic acid methyl ester (54396-74-6)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); triethylamine; at 80 ℃;

DOI:10.1055/a-1306-3228

upstream raw materials:

methyl cyclohex-1-ene-1-carboxylate

5-Oxo-1-cyclohexenecarboxylic acid methyl ester

3-Oxo-1-cyclohexene-1-carboxylic acid

1-bromocyclohexanecarboxylic acid chloride

Downstream raw materials:

C₁₀H₁₃F₃O₅S

methyl (S)-3-oxo-1-phenylcyclohexane-1-carboxylate

methyl 3-hydroxybenzoate

(1S,3S)-3-hydroxycyclohexane-1-carboxylic acid

Refernces

• 1、 Li, Ming,Cui, Yunfeng,Xu, Zefei,Chen, Xi,Feng, Jinhui,Wang, Min,Yao, Peiyuan,Wu, Qiaqing,Zhu, Dunming. "Asymmetric Synthesis of N-Substituted γ-Amino Esters and γ-Lactams Containing α,γ-Stereogenic Centers via a Stereoselective Enzymatic Cascade". supporting information. p. 372 - 379. Retrieved 2021/10/25.
• 2、 -. "PROCESS FOR PREPARING CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACID COMPOUNDS". Page/Page column 84-85. . Retrieved 2020/10/27.