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Methyl 3-(1-aminocyclopropyl)benzoate hydrochloride

  • CAS No. 2525094-72-6

  • Cat. No. CS-0173233
  • Molecule weight227.69
  • Purity≥97%
  • MDL No.None

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

Methyl 3-(1-aminocyclopropyl)benzoate hydrochloride|CS-0173233

Structure of 2525094-72-6

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General Information

  • CAS No. 2525094-72-6
  • Cat. No. CS-0173233
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄ClNO₂
  • Molecular Weight 227.69
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC=CC(C2(N)CC2)=C1.[H]Cl

Description

Methyl 3-(1-aminocyclopropyl)benzoate hydrochloride features a cyclopropyl ring bearing a primary amine group, integrated directly into the para position of a benzoate ester. This configuration delivers enhanced solubility and stability under standard conditions, enabling straightforward incorporation into medicinal chemistry campaigns. The protonated amine facilitates salt formation, improving handling and crystallization properties for synthetic workflows.

Application

Methyl 3-(1-aminocyclopropyl)benzoate hydrochloride serves as a versatile building block for medicinal chemistry campaigns, enabling direct incorporation of a constrained cyclopropylamine motif into bioactive scaffolds. The amine functionality exhibits excellent reactivity in standard coupling reactions and facilitates salt formation for improved solubility and crystallinity. Bench-stable and readily purified by recrystallization or chromatography, it functions as a key intermediate in the synthesis of targeted heterocyclic compounds and API precursors.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.8428
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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