4,5-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Chemical Properties

Melting point:

290 °C

Boiling point:

220.9±50.0 °C(Predicted)

Density 

1.79±0.1 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

form 

solid

pka

9.52±0.20(Predicted)

color 

White to off-white

InChI

InChI=1S/C6H3Cl2N3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)

InChIKey

VFTPONHUNNOSKG-UHFFFAOYSA-N

SMILES

C1=NC(Cl)=C2C(Cl)=CNC2=N1

Safety Information

HS Code 

2933998090

4,5-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Usage And Synthesis

Synthesis

GENERAL METHODS: 4-Chloropyrrolopyrimidine (20 mmol) was used as starting material, dissolved in N,N-dimethylformamide (DMF) (15 mL), followed by the addition of N-chlorosuccinimide (NCS) or N-bromosuccinimide (NBS) (21 mmol). The reaction mixture was stirred at room temperature for 72 hours. Upon completion of the reaction, ice water (150 mL) was slowly added to the mixture, precipitation was precipitated and the solid product was collected by filtration. The precipitate was washed with water (3 x 100 mL) and dried to give 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine (3b) and possible by-products (3c).

References

[1] Synthesis, 2011, # 9, p. 1442 - 1446
[2] Archiv der Pharmazie, 2016, vol. 349, # 5, p. 356 - 362
[3] European Journal of Medicinal Chemistry, 2017, vol. 138, p. 543 - 551
[4] Patent: CN107556318, 2018, A. Location in patent: Paragraph 0101-0105
[5] Journal of Medicinal Chemistry, 1988, vol. 31, # 11, p. 2086 - 2092

4,5-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(115093-90-8)Related Product Information

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