Ethyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 5919-29-9

Ref. 3D-FE123076

Product Information

• Name: Ethyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• Synonyms: benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-, ethyl ester, 2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester, Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-, ethyl ester, Benzo[b]thiophene-3-carboxylic acid, 2-acetamido-4,5,6,7-tetrahydro-, ethyl ester, Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, NSC 158556

Description

Ethyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is an ethyl ester that is used as a reagent in organic synthesis. The acetamide group forms hydrogen bonds with the ester group and, as a result, the molecule has a more rigid structure than if it were an amide. This conformation helps to stabilize the molecule by lowering its energy. The dihedral angle between the two carbonyl groups (the C=O bond) is 180°. In this way, the molecule has a chair conformation with one of the carbonyl groups pointing up and another pointing down.

• Brand: Biosynth

Chemical properties

• Molecular weight: 267.35 g/mol
• Formula: C₁₃H₁₇NO₃S
• Purity: Min. 95%
• InChI: InChI=1S/C13H17NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h3-7H2,1-2H3,(H,14,15)
• InChI key: InChIKey=MYGDFSFTVVUJHF-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2