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CS-W001157 4
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tert-Butyl methyl(4-oxocyclohexyl)carbamate

  • CAS No. 400899-84-5

  • Cat. No. CS-W003579
  • Purity≥97%
  • MDL No.MFCD09037870

*For research and further manufacturing use only, not for direct human use.

tert-Butyl methyl(4-oxocyclohexyl)carbamate|CS-W003579

Structure of 400899-84-5

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General Information

  • CAS No. 400899-84-5
  • Cat. No. CS-W003579
  • Purity ≥97%
  • MDL No. MFCD09037870
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₁NO₃
  • Molecular Weight 227.30
  • Synonym(s) Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
  • SMILES CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1

Description

tert-Butyl methyl(4-oxocyclohexyl)carbamate features a sterically hindered tert-butyl carbamate protecting group paired with a methylated cyclohexanone-derived scaffold. This configuration enhances stability during synthetic manipulations while enabling selective deprotection under mild acidic conditions. The molecule integrates seamlessly into complex molecular architectures requiring robust protection and controlled release.

Application

tert-Butyl methyl(4-oxocyclohexyl)carbamate serves as a versatile building block in synthetic organic chemistry, enabling the efficient construction of functionalized cyclohexane scaffolds. The carbamate group provides robust protection for primary amines under standard reaction conditions, while the 4-oxo substituent offers a site for selective transformations such as reduction, nucleophilic addition, or enolate formation. Its bench-stable nature and compatibility with diverse coupling and functionalization protocols make it well-suited for medicinal chemistry and process development workflows.

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   46.61
  • LogP   2.365
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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