(S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate

Name: (S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
Brand: ChemScene
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CAS No. 194032-32-1
Cat. No. CS-B1036
Purity≥95%
MDL No.MFCD09840678

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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(S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate|CS-B1036

Structure of 194032-32-1

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General Information

CAS No. 194032-32-1
Cat. No. CS-B1036
Purity ≥95%
MDL No. MFCD09840678
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₂N₂O₂
Molecular Weight 214.30
Synonym(s) (3S)-Hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester
SMILES C[C@H]1CN(C(OC(C)(C)C)=O)CCCN1

Description

(S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate is a chiral building block featuring a stereodefined diazepane core with a methyl substituent and a robust tert-butyl carbamate protecting group. This configuration enhances stability and facilitates selective transformations in medicinal chemistry applications.

Application

(S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate serves as a versatile chiral building block in medicinal chemistry, enabling the construction of bioactive heterocycles. The protected diamine core exhibits excellent bench stability and facilitates selective functionalization at nitrogen sites. Its compatibility with standard coupling reactions and ease of deprotection make it well-suited for iterative synthesis of complex pharmaceutical scaffolds.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 41.57
LogP 1.6053
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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(S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate

CAS No. 194032-32-1

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