tert-Butyl N-(1-methyl-4-oxocyclohexyl)carbamate

Name: tert-Butyl N-(1-methyl-4-oxocyclohexyl)carbamate
Brand: ChemScene
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CAS No. 412293-43-7
Cat. No. CS-0048089
Purity≥97%
MDL No.MFCD18374771

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tert-Butyl N-(1-methyl-4-oxocyclohexyl)carbamate|CS-0048089

Structure of 412293-43-7

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Description

tert-Butyl N-(1-methyl-4-oxocyclohexyl)carbamate features a stable carbamate protecting group flanked by a methyl-substituted cyclohexanone scaffold. This configuration enables selective functionalization at the carbonyl site while maintaining compatibility with diverse synthetic transformations. The molecule exhibits enhanced solubility in common organic solvents and resists hydrolysis under standard bench conditions, facilitating its use in iterative synthesis workflows.

Application

tert-Butyl N-(1-methyl-4-oxocyclohexyl)carbamate serves as a stable, bench-ready carbamate protecting group for primary amines, enabling selective functionalization in complex molecule synthesis. The ketone functionality at the 4-position provides a handle for stereocontrolled transformations, including reductive amination and nucleophilic addition. Its compatibility with standard deprotection conditions and tolerance to diverse reaction environments make it a practical building block for cyclohexanone-derived scaffolds in medicinal chemistry and process development.

General Information

CAS No. 412293-43-7
Cat. No. CS-0048089
Purity ≥97%
MDL No. MFCD18374771
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₁NO₃
Molecular Weight 227.30
Synonym(s) Tert-butyl (1-methyl-4-oxocyclohexyl)carbamate
SMILES CC(C)(C)OC(=O)NC1(C)CCC(=O)CC1

Computational Chemistry Data

TPSA 55.4
LogP 2.4129
H_Acceptors 3
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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Ketone

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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tert-Butyl N-(1-methyl-4-oxocyclohexyl)carbamate

CAS No. 412293-43-7

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