Ethyl (2E)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-butenoic Acid Ester

CAS: 104700-36-9

Ref. TR-E916725

Product Information

• Name: Ethyl (2E)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-butenoic Acid Ester
• Synonyms: Ethyl (E)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-butenoic Acid Ester
• Brand: TRC

Description

Applications Ethyl (2E)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-butenoic Acid Ester is an intermediate used in the synthesis of (S)-5,6-Dehydro Pregabalin (D230270), which is a derived from rac 5,6-Dehydro Pregabalin (D230055), an impurity of the anti-convulsant, Pregabalin (P704800).
References Dousa, M, et al.: J. Pharmac. Biomed. Anal., 53, 717 (2010);

Chemical properties

• Molecular weight: 229.27
• Formula: C₁₁H₁₉NO₄
• Color/Form: Neat
• InChI: InChI=1S/C11H19NO4/c1-5-15-9(13)7-6-8-12-10(14)16-11(2,3)4/h6-7H,5,8H2,1-4H3,(H,12,14)/b7-6+
• InChI key: InChIKey=JVQHOURUZMGZAI-VOTSOKGWSA-N
• SMILES: CCOC(=O)/C=C/CNC(=O)OC(C)(C)C