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CS-W001157 4
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Methyl 2-amino-1,3-benzothiazole-6-carboxylate

  • CAS No. 66947-92-0

  • Cat. No. CS-W005257
  • Purity≥97%
  • MDL No.MFCD00468672

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

Methyl 2-amino-1,3-benzothiazole-6-carboxylate|CS-W005257

Structure of 66947-92-0

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General Information

  • CAS No. 66947-92-0
  • Cat. No. CS-W005257
  • Purity ≥97%
  • MDL No. MFCD00468672
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂S
  • Molecular Weight 208.24
  • Synonym(s) 6-Benzothiazolecarboxylic acid, 2-amino-, methyl ester
  • SMILES COC(C1=CC(S2)=C(N=C2N)C=C1)=O

Description

Methyl 2-amino-1,3-benzothiazole-6-carboxylate features a fused heterocyclic core with a strategically positioned amino group and ester functionality. This combination enables direct integration into pharmaceutical scaffolds and synthetic intermediates, offering enhanced solubility and reactivity under standard conditions. The molecule demonstrates bench-stable handling characteristics and serves as a key building block for bioactive compound development.

Application

Methyl 2-amino-1,3-benzothiazole-6-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive benzothiazole scaffolds. Its amino and ester functionalities offer orthogonal reactivity for downstream derivatization, including amidation, coupling reactions, and heterocycle functionalization. The compound exhibits bench stability and facilitates straightforward purification, supporting scalable synthesis of potential pharmaceutical intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   65.21
  • LogP   1.6651
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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