tert-Butyl 4-aminoazepane-1-carboxylate

Name: tert-Butyl 4-aminoazepane-1-carboxylate
Brand: ChemScene
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CAS No. 196613-57-7
Cat. No. CS-W008959
Purity≥95%
MDL No.MFCD07371372

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl 4-aminoazepane-1-carboxylate|CS-W008959

Structure of 196613-57-7

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General Information

CAS No. 196613-57-7
Cat. No. CS-W008959
Purity ≥95%
MDL No. MFCD07371372
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₂N₂O₂
Molecular Weight 214.30
Synonym(s) tert-butyl 4-aminoazepane-1-carboxylate hydrochloride
SMILES O=C(OC(C)(C)C)N(CCC1)CCC1N

Description

tert-Butyl 4-aminoazepane-1-carboxylate features a saturated seven-membered azepane core with a strategically positioned amino group and a bench-stable tert-butyl ester. This combination enables direct incorporation into complex heterocyclic scaffolds, offering enhanced solubility and compatibility in transition-metal-catalyzed coupling reactions and late-stage functionalization workflows.

Application

tert-Butyl 4-aminoazepane-1-carboxylate serves as a versatile scaffold for the synthesis of nitrogen-containing heterocycles, enabling efficient access to azepane-based pharmacophores. The protected amine and ester functionalities offer orthogonal reactivity, facilitating sequential transformations in medicinal chemistry campaigns. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it a practical building block for API development.

Synthesis

Route1
- 878630-66-1
- ~%
- In-stock
  
  196613-57-7
References
- WO2006/29154 A2, ; Page/Page column 36 ;
Route2
- In-stock
  
  188975-88-4
- ~%
- In-stock
  
  196613-57-7
References
- WO2004/35569 A2, ; Page/Page column 58-59 ;

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

Quality Control

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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

Key Words

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tert-Butyl 4-aminoazepane-1-carboxylate

CAS No. 196613-57-7

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