ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE

Base Information

• Chemical Name: ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
• CAS No.: 168279-54-7
• Molecular Formula: C12H14 O3 S2
• Molecular Weight: 270.373
• Hs Code.: 2934999090
• Mol file: 168279-54-7.mol

Synonyms:3-Methylsulfanyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylicacid ethyl ester;4,5,6,7-Tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylic acid ethylester

Chemical Property of ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 3.74E-08mmHg at 25°C
• Melting Point: 108oC
• Boiling Point: 446.1oC at 760 mmHg
• Flash Point: 223.6oC
• PSA: 96.91000
• Density: 1.31g/cm3
• LogP: 3.16570
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE

There total 4 articles about ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE 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: 63.0%

1,3-cylohexanedione (504-02-9) + ethyl bromoacetate (105-36-2) + methyl iodide (74-88-4) → 4,5,6,7-tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylic Acid Ethyl Ester (168279-54-7)

Guidance literature:

1,3-cylohexanedione; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

With carbon disulfide; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

ethyl bromoacetate; methyl iodide; Further stages;

Reference yield: 63.0%

carbon disulfide (75-15-0,12122-00-8) + 1,3-cylohexanedione (504-02-9) + ethyl bromoacetate (105-36-2) + methyl iodide (74-88-4) → 4,5,6,7-tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylic Acid Ethyl Ester (168279-54-7)

Guidance literature:

1,3-cylohexanedione; With potassium carbonate; In N,N-dimethyl-formamide; for 0.166667h;

carbon disulfide; In N,N-dimethyl-formamide; for 0.166667h;

ethyl bromoacetate; methyl iodide; Further stages;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 1,3-cylohexanedione (504-02-9) + chloroacetic acid ethyl ester (105-39-5) + methyl iodide (74-88-4) → 4,5,6,7-tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylic Acid Ethyl Ester (168279-54-7)

Guidance literature:

1,3-cylohexanedione; With potassium carbonate; In N,N-dimethyl-formamide; at 10 - 35 ℃; for 0.166667h;

carbon disulfide; In N,N-dimethyl-formamide; at 10 - 35 ℃; for 0.25h;

chloroacetic acid ethyl ester; methyl iodide; Further stages;

upstream raw materials:

carbon disulfide

1,3-cylohexanedione

ethyl bromoacetate

methyl iodide

Downstream raw materials:

3-methylthio-5,6,7,8-tetrahydro benzothiophene-4-one

Ethyl 6,7-dihydro-3-(methylthio)benzothiophene-1-carboxylate

Ethyl 4,5,6,7-tetrahydro-4-hydroxy-3-(methylthio)benzothiophene-1-carboxylate