tert-Butyl (3R)-3-aminoazepane-1-carboxylate

Name: tert-Butyl (3R)-3-aminoazepane-1-carboxylate
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CAS No. 1032684-85-7
Cat. No. CS-D0018
Molecule weight214.30
Purity≥97%
MDL No.MFCD11041391

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tert-Butyl (3R)-3-aminoazepane-1-carboxylate|CS-D0018

Structure of 1032684-85-7

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General Information

CAS No. 1032684-85-7
Cat. No. CS-D0018
Purity ≥97%
MDL No. MFCD11041391
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₂N₂O₂
Molecular Weight 214.30
Synonym(s) (R)-tert-Butyl 3-aminoazepane-1-carboxylate
SMILES N[C@H]1CN(C(OC(C)(C)C)=O)CCCC1

Description

tert-Butyl (3R)-3-aminoazepane-1-carboxylate is a chiral, bench-stable building block featuring a stereodefined amine within a seven-membered ring. This azepane scaffold delivers enhanced conformational rigidity and improved metabolic stability in bioactive molecule design. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, facilitating integration into peptide-like systems and complex molecular architectures.

Application

tert-Butyl (3R)-3-aminoazepane-1-carboxylate serves as a stereochemically defined azepane scaffold for medicinal chemistry applications, offering a stable, bench-ready building block for the synthesis of nitrogen-containing heterocycles. The protected amine and carboxylate functionalities enable sequential transformations in multistep syntheses, with orthogonal reactivity facilitating diversification via coupling, alkylation, or cyclization reactions. Its structural rigidity and well-documented compatibility support efficient route development in API discovery workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 2735
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
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 55.56
LogP 1.7347
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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tert-Butyl (3R)-3-aminoazepane-1-carboxylate

CAS No. 1032684-85-7

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