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CS-W001157 4
Total: USD 88.00

Isopropyl carbamate

  • CAS No. 1746-77-6

  • Cat. No. CS-0119929
  • Purity≥97%
  • MDL No.MFCD00025463

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

Isopropyl carbamate|CS-0119929

Structure of 1746-77-6

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General Information

  • CAS No. 1746-77-6
  • Cat. No. CS-0119929
  • Purity ≥97%
  • MDL No. MFCD00025463
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₉NO₂
  • Molecular Weight 103.12
  • Synonym(s) Carbamic Acid Isopropyl Ester
  • SMILES NC(OC(C)C)=O

Description

It finds its application in the identification of N-acyl 4-(5-pyrimidine-2,4-dionyl)phenylalanine derivatives and their orally active prodrug esters as dual-acting alpha4-beta1 and alpha4-beta7 receptor antagonists.

Application

Isopropyl carbamate serves as a stable, bench-ready carbamoylating agent that facilitates the efficient introduction of urea-like functionalities into organic scaffolds. It functions reliably in amine carbamoylation reactions, offering good functional group tolerance and straightforward purification due to its volatility and low byproduct formation. This reagent enables direct access to carbamates and ureas under mild conditions, making it valuable for medicinal chemistry and process development workflows.

Synthesis

  • Route1
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    • ~%
    • In-stock
      Isopropyl carbamate|CS-0119929
      1746-77-6

    References

    • Journal of Organic Chemistry, , vol. 33, p. 4333 - 4335
  • Route2
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      108-23-6
    • ~%
    • In-stock
      Isopropyl carbamate|CS-0119929
      1746-77-6

    References

    • Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, , vol. 43, p. 337
  • Route3
    • Diisopropyl dicarbonate|CS-0882901
      24425-00-1
    • ~%
    • In-stock
      Isopropyl carbamate|CS-0119929
      1746-77-6

    References

    • Zhurnal Obshchei Khimii, , vol. 24, p. 1041;engl.Ausg.S.1039

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+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   0.4901
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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