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CS-W001157 4
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Methyl 2,3-diamino-5-bromobenzoate

  • CAS No. 1248541-63-0

  • Cat. No. CS-0028765
  • Molecule weight245.07
  • Purity≥97%
  • MDL No.None

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

Methyl 2,3-diamino-5-bromobenzoate|CS-0028765

Structure of 1248541-63-0

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General Information

  • CAS No. 1248541-63-0
  • Cat. No. CS-0028765
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BrN₂O₂
  • Molecular Weight 245.07
  • Synonym(s) None
  • SMILES COC(C1=C(C(N)=CC(Br)=C1)N)=O

Description

Methyl 2,3-diamino-5-bromobenzoate features a brominated benzene core with strategically positioned amino and ester functionalities. The para-bromo substitution enhances electrophilic reactivity, while the ortho-diamino arrangement enables coordination in transition metal complexes. This bench-stable derivative integrates readily into multi-step syntheses for functionalized heterocycles and bioactive scaffolds under standard conditions.

Application

Methyl 2,3-diamino-5-bromobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of substituted benzimidazoles, benzothiazoles, and other heterocyclic scaffolds. The molecule's dual amine functionalities offer orthogonal reactivity for selective derivatization, while the bromo group facilitates palladium-catalyzed cross-coupling reactions. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring functional group tolerance and predictable regiochemistry.

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   78.34
  • LogP   1.4001
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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