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CS-W001157 4
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tert-Butyl (3-formylphenyl)carbamate

  • CAS No. 176980-36-2

  • Cat. No. CS-W005907
  • Purity≥97%
  • MDL No.MFCD06660380

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

tert-Butyl (3-formylphenyl)carbamate|CS-W005907

Structure of 176980-36-2

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General Information

  • CAS No. 176980-36-2
  • Cat. No. CS-W005907
  • Purity ≥97%
  • MDL No. MFCD06660380
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) tert-butylN-(3-formylphenyl)carbamate
  • SMILES O=C(OC(C)(C)C)NC1=CC=CC(C=O)=C1

Description

tert-Butyl (3-formylphenyl)carbamate features a bench-stable carbamate-protected aldehyde group positioned meta to the aromatic ring. This functionalized scaffold enables direct incorporation into diverse synthetic sequences, including reductive amination and Wittig reactions, without requiring deprotection prior to coupling. The tert-butyl moiety ensures excellent stability under standard conditions.

Application

tert-Butyl (3-formylphenyl)carbamate serves as a versatile building block in medicinal and synthetic chemistry, enabling direct introduction of a meta-substituted benzaldehyde moiety. The formyl group facilitates efficient transformations including reductive amination, Wittig reactions, and nucleophilic additions, while the carbamate protects the amine under standard reaction conditions. Bench-stable and easily purified, it functions as a key intermediate in the synthesis of heterocyclic scaffolds and bioactive molecules.

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   55.4
  • LogP   2.8461
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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