Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester

Base Information

• Chemical Name: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester
• CAS No.: 78033-87-1
• Molecular Formula: C₁₈H₁₉NO₄S
• Molecular Weight: 345.419
• DSSTox Substance ID: DTXSID00228686
• Wikidata: Q83108730

Synonyms:BRN 5121018;Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester;78033-87-1;DTXSID00228686;LS-41159

Chemical Property of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester

Chemical Property:

• Vapor Pressure: 1.17E-10mmHg at 25°C
• Boiling Point: 496°Cat760mmHg
• Flash Point: 253.8°C
• Density: 1.346g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 345.10347926
• Heavy Atom Count: 24
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCCO

Technology Process of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester

There total 1 articles about Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl 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: 78.0%

5,6,7,8-tetrahydro-2-phenyl-4H-benzo<4,5->thieno<2,3-d><3,1>-oxazin-4-one (73696-35-2) + ethylene glycol (107-21-1) → 2-Benzoylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid 2-hydroxy-ethyl ester (78033-87-1)

Guidance literature:

With sodium methylate; for 2h; Heating;

DOI:10.1007/BF01152329

upstream raw materials:

5,6,7,8-tetrahydro-2-phenyl-4H-benzo<4,5->thieno<2,3-d><3,1>-oxazin-4-one

ethylene glycol

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