tert-Butyl 1-iminothiomorpholine-4-carboxylate 1-oxide

Name: tert-Butyl 1-iminothiomorpholine-4-carboxylate 1-oxide
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CAS No. 1609964-38-6
Cat. No. CS-0080106
Purity≥95%
MDL No.None

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tert-Butyl 1-iminothiomorpholine-4-carboxylate 1-oxide|CS-0080106

Structure of 1609964-38-6

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General Information

CAS No. 1609964-38-6
Cat. No. CS-0080106
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₈N₂O₃S
Molecular Weight 234.32
Synonym(s) Tert-butyl 1-imino-1-oxo-1(lambda6)-thiomorpholine-4-carboxylate
SMILES CC(C)(C)OC(N(CC1)CCS1(=N)=O)=O

Description

tert-Butyl 1-iminothiomorpholine-4-carboxylate 1-oxide features a sulfimide-functionalized heterocycle with enhanced stability and tunable reactivity. This bench-stable oxidized scaffold integrates readily into synthetic sequences requiring nitrogen-centered radical precursors or electrophilic building blocks. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, facilitating downstream functionalization in complex molecule assembly.

Application

tert-Butyl 1-iminothiomorpholine-4-carboxylate 1-oxide serves as a stable, bench-ready building block for the synthesis of thiomorpholine-based heterocycles. Its oxidized imino functionality enables selective transformations in late-stage functionalization, while the tert-butyl ester facilitates straightforward deprotection under mild acidic conditions. The molecule exhibits excellent functional group tolerance and compatibility with standard coupling and reduction protocols, making it valuable for medicinal chemistry campaigns targeting sulfur-containing 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 70.46
LogP 1.28387
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Thiomorpholine compounds

Key Words

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tert-Butyl 1-iminothiomorpholine-4-carboxylate 1-oxide

CAS No. 1609964-38-6

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