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Benzyl (4-aminobicyclo[2.1.1]hexan-1-yl)carbamate hydrochloride

  • CAS No. 1354951-84-0

  • Cat. No. CS-0091994
  • Molecule weight282.77
  • Purity≥98%
  • MDL No.MFCD20441712

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

Benzyl (4-aminobicyclo[2.1.1]hexan-1-yl)carbamate hydrochloride|CS-0091994

Structure of 1354951-84-0

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General Information

  • CAS No. 1354951-84-0
  • Cat. No. CS-0091994
  • Purity ≥98%
  • MDL No. MFCD20441712
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉ClN₂O₂
  • Molecular Weight 282.77
  • Synonym(s) Benzyl N-{4-aminobicyclo[2.1.1]hexan-1-yl}carbamate hydrochloride
  • SMILES O=C(OCC1=CC=CC=C1)NC2(C3)CCC3(N)C2.Cl

Description

Benzyl (4-aminobicyclo[2.1.1]hexan-1-yl)carbamate hydrochloride features a rigid bicyclic scaffold with a primary amine at the 4-position, enabling direct functionalization or salt formation. The benzyl carbamate group provides stability and facilitates controlled deprotection under mild conditions. This compound serves as a key intermediate in the synthesis of conformationally restricted biologically active molecules.

Application

Benzyl (4-aminobicyclo[2.1.1]hexan-1-yl)carbamate hydrochloride serves as a versatile, bench-stable building block for the synthesis of nitrogen-containing heterocycles and bioactive molecules. The bicyclo[2.1.1]hexane core imparts conformational rigidity and metabolic stability, while the protected amine enables selective functionalization. Its hydrochloride salt form enhances solubility and purification ease, facilitating use in standard coupling reactions, reductive amination, and peptide extension workflows.

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-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   2.3585
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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