Ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

Chemical Name:Ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS No.:76981-84-5
Molecular Formula:C₁₉H₂₀ClNO₃S
Molecular Weight:377.892
Hs Code.:
DSSTox Substance ID:DTXSID50998266

Synonyms:BRN 5616505;76981-84-5;ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((4-chlorobenzoyl)amino)-6-methyl-,ethyl ester;Oprea1_272984;Oprea1_568657;DTXSID50998266;STK765027;AKOS001660236;AKOS016312519;LS-41164;EU-0008308;UNM000003542701;SR-01000463647;SR-01000463647-1;ETHYL 2-(4-CHLOROBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE;ethyl 2-{[(4-chlorophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Suppliers and Price of Ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

Vapor Pressure:2.69E-09mmHg at 25°C
Boiling Point:477.9°Cat760mmHg
Flash Point:242.8°C
Density:1.298g/cm³
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:377.0852424
Heavy Atom Count:25
Complexity:495

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)Cl

Technology Process of Ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

There total 4 articles about Ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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: 94.0%

: 76981-71-0
2-amino-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

: 122-01-0
4-chloro-benzoyl chloride

: 76981-84-5
2-(4-Chloro-benzoylamino)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

Guidance literature:: 2-amino-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester; With pyridine; In toluene; for 0.166667h; Inert atmosphere;

4-chloro-benzoyl chloride; In toluene; for 3h; Inert atmosphere; Heating;
DOI:10.1016/j.molstruc.2022.132607

Reference yield:

: 589-92-4
1-methylcyclohexan-4-one

: 76981-84-5
2-(4-Chloro-benzoylamino)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / sulphur, diethylamine / ethanol / 1.5 h

2: 87 percent

With sulfur; diethylamine; In ethanol;

Reference yield:

: 105-56-6
ethyl 2-cyanoacetate

: 76981-84-5
2-(4-Chloro-benzoylamino)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / sulphur, diethylamine / ethanol / 1.5 h

2: 87 percent

With sulfur; diethylamine; In ethanol;