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217735 Sigma-Aldrich

5-Amino-4,6-dichloropyrimidine

97%

  • CAS Number 5413-85-4

  • Empirical Formula (Hill Notation) C4H3Cl2N3

  • Molecular Weight 163.99

  •  Beilstein/REAXYS Number 126885

  •  EC Number 226-503-7

  •  MDL number MFCD00006108

  •  PubChem Substance ID 24853030

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C4 to C5, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks,
Quality Level   100
assay   97%
mp   145-148 °C (lit.)
solubility   95% ethanol: soluble 50 mg/mL, clear to slightly hazy, colorless to faintly yellow
storage temp.   2-8°C
SMILES string   Nc1c(Cl)ncnc1Cl
InChI   1S/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2
InChI key   NIGDWBHWHVHOAD-UHFFFAOYSA-N

Description

Application

5-Amino-4,6-dichloropyrimidine was used in the synthesis of:
• oxepane ring containing monocyclic, conformationally restricted bicyclic and spirocyclic nucleosides
• conformationally locked bicyclo[2.2.1]heptane/oxa-bicyclo[3.2.1]octane nucleosides
• N(7)-substituted purines
• chiral derivatives of (+)-erythro-9-(2-hydroxy-3-nonyl)adenine
• 9-alkyl-6-substituted-purine analogs, potent anticonvulsant agents
• pyrimido-oxazepines in a three-step process with microwave heating at 150°C

Packaging

5, 25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles
Peer-Reviewed Papers
15

References

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