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1,1-Dimethylethyl-N-[(3-formylphenyl)methyl]carbamate

  • CAS No. 170853-04-0

  • Cat. No. CS-0211017
  • Purity≥97%
  • MDL No.MFCD06659091

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

1,1-Dimethylethyl-N-[(3-formylphenyl)methyl]carbamate|CS-0211017

Structure of 170853-04-0

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General Information

  • CAS No. 170853-04-0
  • Cat. No. CS-0211017
  • Purity ≥97%
  • MDL No. MFCD06659091
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₃
  • Molecular Weight 235.28
  • Synonym(s) tert-Butyl 3-formylbenzylcarbamate
  • SMILES CC(C)(OC(NCC1=CC(C=O)=CC=C1)=O)C

Description

This carbamate derivative features a tert-butyl-protected amine linked to a benzaldehyde-bearing side chain, enabling selective conjugation under mild conditions. The aldehyde group facilitates efficient coupling with hydrazides or amines, while the sterically hindered tert-butyl moiety enhances stability and prevents unwanted side reactions during synthesis.

Application

1,1-Dimethylethyl-N-[(3-formylphenyl)methyl]carbamate serves as a stable, bench-ready building block for the synthesis of functionalized benzene derivatives. The formyl group enables direct electrophilic substitution or reductive amination, while the tert-butyl carbamate protects the amine under standard reaction conditions. This compound facilitates efficient access to substituted phenyl scaffolds and is compatible with diverse coupling and transformation protocols in medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • ANTHEM BIOSCIENCES PRIVATE LIMITED Patent: US2012/101099 A1, 2012 ; Location in patent: Page/Page column 28; 30 ;
  • Route2
    • null|null
      875582-81-3
    • ~96%
    • In-stock
      1,1-Dimethylethyl-N-[(3-formylphenyl)methyl]carbamate|CS-0211017
      170853-04-0

    References

    • Herre, Stephan; Steinle, Wencke; Rueck-Braun, Karola Synthesis, 2005 , # 19 art. no. C08205SS, p. 3297 - 3300
  • Route3

    References

    • EP1380562 A1, ; Page 108 ;

Safety Information

Download SDS
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   2.5238
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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