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CS-W001157 4
Total: USD 88.00

2-Amino-4-chloropyrimidine

  • CAS No. 3993-78-0

  • Cat. No. CS-D0608
  • Purity≥98%
  • MDL No.MFCD00038021

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

2-Amino-4-chloropyrimidine|CS-D0608

Structure of 3993-78-0

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General Information

  • CAS No. 3993-78-0
  • Cat. No. CS-D0608
  • Purity ≥98%
  • MDL No. MFCD00038021
  • Storage -20°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄ClN₃
  • Molecular Weight 129.55
  • Synonym(s) None
  • SMILES NC1=NC=CC(Cl)=N1

Description

Substrate used in a palladium-catalyzed cyanation with zinc(II) cyanide.

Application

2-Amino-4-chloropyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. The amino group facilitates nucleophilic substitution and transition metal-catalyzed coupling reactions, while the chloro substituent provides a reliable handle for C–C and C–N bond formation. Its bench-stable solid form and compatibility with diverse reaction conditions make it well-suited for iterative synthesis and scale-up in API development.

Synthesis

  • Route1

    References

    • AMGEN INC. Patent: WO2009/158011 A1, 2009 ; Location in patent: Page/Page column 31 ; WO 2009/158011 A1
  • Route2

    References

    • Alvarez, Mercedez; Puentes, Jose Luis fernandez; Bleda, David Fernandez Patent: US2004/58939 A1, 2004 ;
  • Route3
    • null|null
      3934-20-1
    • ~%
    • In-stock
      2-Amino-4-chloropyrimidine|CS-D0608
      3993-78-0

    References

    • PIRAMED LIMITED; GENENTECH, INC.; BAYLISS, Tracy; CHUCKOWREE, Irina; FOLKES, Adrian; OXENFORD, Sally; WAN, Nan, Chi; CASTANEDO, Georgette; GOLDSMITH, Richard; GUNZNER, Janet; HEFFRON, Tim; MATHIEU, Simon; OLIVERO, Alan; STABEN, Steven; SUTHERLIN, Daniel, P.; ZHU, Bing-Yan Patent: WO2008/70740 A1, 2008 ; Location in patent: Page/Page column 201 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   51.8
  • LogP   0.7122
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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