| Identification | Back Directory | [Name]
5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine | [CAS]
1060816-58-1 | [Synonyms]
5-BroMo-2-chloro-7H-pyrro...
5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine
7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-2-chloro-
5-Bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine ISO 9001：2015 REACH | [Molecular Formula]
C6H3BrClN3 | [MDL Number]
MFCD09909707 | [MOL File]
1060816-58-1.mol | [Molecular Weight]
232.465 |
| Chemical Properties | Back Directory | [density ]
1.996±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
9.51±0.50(Predicted) | [Appearance]
Off-white to light brown Solid | [CAS DataBase Reference]
1060816-58-1 |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 5-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidines from 2-chloro-7H-pyrrolo[2,3-d]pyrimidines is as follows: N-bromosuccinimide (11,374.5 g, 64.04 mol, 2.0 eq.) was added in batches to 2-chloro-7H-pyrrolo[2,3-d]pyrimidines (4907.0 g, 31.91 mol, 1.0 equiv) in acetonitrile solution. The reaction was carried out at room temperature (25 °C) for 17 h. The completion of the reaction was monitored by TLC. Upon completion of the reaction, the reaction solution was slowly poured into 100 L of ice water and a large amount of solid was precipitated. The solid was collected by filtration and the filter cake was washed three times with 50 L of water and dried to give 7117.2 g of white solid product in 95.82% yield. The structure of the product was confirmed by 1H-NMR (400 MHz, DMSO-d6): δ 12.78 (brs, 1H), 8.85 (s, 1H), 7.89 (s, 1H). | [References]
[1] Patent: CN105949196, 2016, A. Location in patent: Paragraph 0048; 0069; 0088 - 0091 |
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