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Ethyl 3-Amino-2-butenoate

  • CAS No. 7318-00-5

  • Cat. No. CS-0031464
  • Purity≥98%
  • MDL No.MFCD00008073

*For research and further manufacturing use only, not for direct human use.

Ethyl 3-Amino-2-butenoate|CS-0031464

Structure of 7318-00-5

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General Information

  • CAS No. 7318-00-5
  • Cat. No. CS-0031464
  • Purity ≥98%
  • MDL No. MFCD00008073
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO₂
  • Molecular Weight 129.16
  • Synonym(s) 3-Amino-2-butenoic Acid Ethyl Ester
  • SMILES CCOC(/C=C(N)/C)=O

Description

Ethyl 3-amino-2-butenoate features a conjugated enoate system with a pendant amino group, enabling direct participation in Michael additions and cycloaddition reactions. This reactive scaffold integrates readily into nitrogen-containing heterocycles and serves as a building block for synthetic intermediates requiring both electrophilic and nucleophilic handles under mild conditions.

Application

Ethyl 3-amino-2-butenoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted pyrroles and other nitrogen-containing heterocycles via [4+2] cycloadditions or condensation reactions. The conjugated enamine functionality facilitates Michael additions and electrophilic transformations, while the ethyl ester group supports orthogonal manipulation. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for medicinal chemistry and process development workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3263
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   0.412
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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