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CS-W001157 4
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Methyl 3-azabicyclo[3.2.1]octane-8-carboxylate hydrochloride

  • CAS No. 1403766-94-8

  • Cat. No. CS-0049123
  • Purity≥95%
  • MDL No.MFCD23105857

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

Methyl 3-azabicyclo[3.2.1]octane-8-carboxylate hydrochloride|CS-0049123

Structure of 1403766-94-8

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General Information

  • CAS No. 1403766-94-8
  • Cat. No. CS-0049123
  • Purity ≥95%
  • MDL No. MFCD23105857
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆ClNO₂
  • Molecular Weight 205.68
  • Synonym(s) None
  • SMILES O=C(C1[C@H]2CC[C@@H]1CNC2)OC.Cl

Description

Methyl 3-azabicyclo[3.2.1]octane-8-carboxylate hydrochloride features a rigid, nitrogen-containing bicyclic scaffold with a bench-stable protonated amine and a polar ester handle. This configuration enables efficient incorporation into diverse synthetic pathways, particularly in medicinal chemistry campaigns requiring constrained, bioactive heterocyclic cores.

Application

Methyl 3-azabicyclo[3.2.1]octane-8-carboxylate hydrochloride serves as a conformationally constrained bicyclic scaffold for medicinal chemistry and asymmetric synthesis. The tertiary amine functionality enables efficient salt formation, enhancing solubility and crystallinity. It participates reliably in nucleophilic substitution and reductive amination reactions, facilitating access to diverse heterocyclic architectures. The methyl ester group supports standard transformations including hydrolysis, amidation, and coupling protocols, making it a versatile building block for API development and library synthesis.

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

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.8268
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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