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CS-W001157 4
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Isobutyl 3,5-diamino-4-chlorobenzoate

  • CAS No. 32961-44-7

  • Cat. No. CS-W012761
  • Purity≥98%
  • MDL No.MFCD00272560

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

Isobutyl 3,5-diamino-4-chlorobenzoate|CS-W012761

Structure of 32961-44-7

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General Information

  • CAS No. 32961-44-7
  • Cat. No. CS-W012761
  • Purity ≥98%
  • MDL No. MFCD00272560
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅ClN₂O₂
  • Molecular Weight 242.70
  • Synonym(s) butyl 3,5-diamino-4-chlorobenzoate
  • SMILES CC(C)COC(=O)C1=CC(N)=C(Cl)C(N)=C1

Description

Isobutyl 3,5-diamino-4-chlorobenzoate features a chlorinated aromatic core with strategically positioned amino groups enabling direct coupling in peptide and heterocyclic synthesis. The isobutyl ester facilitates efficient hydrolysis under mild conditions, offering a stable yet reactive handle for downstream functionalization.

Application

Isobutyl 3,5-diamino-4-chlorobenzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzene scaffolds through standard coupling and functional group manipulation. The diamino and chloro substituents provide orthogonal reactivity for sequential derivatization, while the isobutyl ester offers bench stability and ease of hydrolysis under mild conditions. This compound functions effectively in peptide coupling, heterocycle formation, and late-stage modification workflows common in API development.

Safety Information

Download SDS
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   2.3172
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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