tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

CAS No. 1174020-52-0
Cat. No. CS-W022984
Purity≥97%
MDL No.MFCD14585015

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tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate|CS-W022984

Structure of 1174020-52-0

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Description

tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate features a hydroxymethyl-functionalized oxazepane core, enabling direct derivatization in late-stage synthesis. The tert-butyl ester group provides stability and ease of removal under mild acidic conditions. This scaffold integrates readily into complex molecular architectures requiring heterocyclic amine handles with controlled polarity and solubility.

Application

tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate serves as a versatile scaffold for the synthesis of bioactive heterocycles, enabling efficient access to oxazepane-containing pharmacophores. The pendant hydroxymethyl group facilitates downstream functionalization via oxidation, protection, or coupling reactions, while the tert-butyl ester provides stability and ease of purification. This compound exhibits excellent bench stability and compatibility with standard synthetic protocols, making it well-suited for medicinal chemistry campaigns targeting CNS therapeutics and kinase inhibitors.

General Information

CAS No. 1174020-52-0
Cat. No. CS-W022984
Purity ≥97%
MDL No. MFCD14585015
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₁NO₄
Molecular Weight 231.29
Synonym(s) tert-Butyl 2-(hydroxymethyl)
SMILES CC(C)(C)OC(=O)N1CCCOC(CO)C1

Computational Chemistry Data

TPSA 59
LogP 1.0047
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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tert-Butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

CAS No. 1174020-52-0

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