ChemicalBook--->CAS DataBase List--->1032650-41-1

1032650-41-1

1032650-41-1 Structure

1032650-41-1 Structure
IdentificationBack Directory
[Name]

7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
[CAS]

1032650-41-1
[Synonyms]

7-BroMo-4-chloro-5H-pyrro...
7-broMo-4-chloro-5H-pyrrolo[3
7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
5H-Pyrrolo[3,2-d]pyriMidine,7-broMo-4-chloro-
7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine ISO 9001:2015 REACH
[Molecular Formula]

C6H3BrClN3
[MDL Number]

MFCD11518977
[MOL File]

1032650-41-1.mol
[Molecular Weight]

232.465
Chemical PropertiesBack Directory
[Boiling point ]

384.3±37.0 °C(Predicted)
[density ]

1.996±0.06 g/cm3(Predicted)
[storage temp. ]

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

9.91±0.40(Predicted)
[Appearance]

Light brown to brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H302-H319-H315
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[HazardClass ]

IRRITANT
Spectrum DetailBack Directory
[Spectrum Detail]

7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine(1032650-41-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

7-BROMO-1,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE

93587-23-6

7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine

1032650-41-1

Under argon protection, 7-bromo-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one (100 mg, 0.5 mmol) was mixed with 6 mL of phosphorus oxytrichloride (POCl3) and the reaction was heated for 3 hours at 115 °C. After the reaction was completed, the mixture was cooled to room temperature and slowly poured into 300 mL of ice water with thorough stirring. The pH was adjusted to alkaline with potassium carbonate solution and subsequently extracted with ethyl acetate (EtOAc). The organic phases were combined, dried over anhydrous sodium sulfate and filtered, and the filtrate was concentrated under reduced pressure to afford 101 mg (93% yield) of the target product, 7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine, as a beige solid, which could be used in the subsequent reaction without further purification.

[References]

[1] Patent: WO2008/70507, 2008, A2. Location in patent: Page/Page column 153
[2] Patent: WO2015/128334, 2015, A1. Location in patent: Page/Page column 90
[3] Patent: WO2011/113798, 2011, A2. Location in patent: Page/Page column 59-60
[4] Patent: US2013/102587, 2013, A1. Location in patent: Paragraph 0273; 0274
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