Ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Base Information

Chemical Name:Ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS No.:76981-73-2
Molecular Formula:C₁₄H₁₉NO₃S
Molecular Weight:281.376
Hs Code.:2934999090
DSSTox Substance ID:DTXSID70998263
Mol file:76981-73-2.mol

Synonyms:76981-73-2;BRN 5565004;Ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;Ethyl 4,5,6,7-tetrahydro-2-(acetylamino)-6-methylbenzo(b)thiophene-3-carboxylate;ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-6-methyl-, ethyl ester;ethyl 2-(acetylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;CBMicro_042302;DTXSID70998263;MMOGJFVKKPVAKG-UHFFFAOYSA-N;CCG-16895;STK829946;AKOS000564158;AKOS016312153;LS-41153;BIM-0042476.P001;CS-0326422;AJ-292/11633865;SR-01000438157;SR-01000438157-1;2-Acetylamino-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester;Ethyl2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;N-[3-(Ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanimidic acid

Suppliers and Price of Ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Ethyl2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 97%
5g
$ 874.00

Total 2 raw suppliers

Chemical Property of Ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Chemical Property:

Vapor Pressure:8.52E-10mmHg at 25°C
Boiling Point:491.2°C at 760 mmHg
Flash Point:250.9°C
PSA：87.13000
Density:1.206g/cm³
LogP:3.65750
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:281.10856464
Heavy Atom Count:19
Complexity:361

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 97% ^*data from reagent suppliers

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)C

Technology Process of Ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

There total 6 articles about Ethyl 2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-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: 88.3%

: 108-24-7
acetic anhydride

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

: 76981-73-2
2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester

Guidance literature:: In 1,4-dioxane; at 80 - 90 ℃;
DOI:10.1002/cmdc.201900688

Reference yield:

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

: 76981-73-2
2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[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: 71 percent

With sulfur; diethylamine; In ethanol;

Reference yield:

: 105-56-6
ethyl 2-cyanoacetate

: 76981-73-2
2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzo[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: 71 percent

With sulfur; diethylamine; In ethanol;