Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester

Base Information

Chemical Name:Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester
CAS No.:76981-93-6
Molecular Formula:C18H26N2O4S
Molecular Weight:366.475
Hs Code.:
DSSTox Substance ID:DTXSID40998270

Synonyms:BRN 5619311;76981-93-6;Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester;DTXSID40998270;STK000579;AKOS000535222;AKOS016313235;WAY-297861;ethyl 6-methyl-2-(2-morpholin-4-ylacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiop hene-3-carboxylate;LS-41181;AB00093082-01;SR-01000424143;SR-01000424143-1;ethyl 6-methyl-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 6-methyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;N-[3-(Ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(morpholin-4-yl)ethanimidic acid

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

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Chemical Property of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester

Chemical Property:

Vapor Pressure:3.22E-13mmHg at 25°C
Boiling Point:574.9°Cat760mmHg
Flash Point:301.5°C
PSA：99.60000
Density:1.23g/cm³
LogP:2.90770
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:366.16132849
Heavy Atom Count:25
Complexity:484

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)CN3CCOCC3

Technology Process of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester

There total 4 articles about Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester 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: 57.0%

: 110-91-8,99108-56-2
morpholine

: 76981-87-8
2-(2-Chloro-acetylamino)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

: 76981-93-6
6-Methyl-2-(2-morpholin-4-yl-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

Guidance literature:: at 70 ℃; for 2h;

Reference yield:

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

: 76981-93-6
6-Methyl-2-(2-morpholin-4-yl-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

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

2: 89 percent

3: 57 percent / 2 h / 70 °C

With sulfur; diethylamine; In ethanol;

Reference yield:

: 105-56-6
ethyl 2-cyanoacetate

: 76981-93-6
6-Methyl-2-(2-morpholin-4-yl-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

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

2: 89 percent

3: 57 percent / 2 h / 70 °C

With sulfur; diethylamine; In ethanol;