| Identification | Back Directory | [Name]
7-Benzenesulfonyl-5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine | [CAS]
252723-17-4 | [Synonyms]
7-Benzenesulfonyl-5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine 5-broMo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyriMidine 7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-4-chloro-7-(phenylsulfonyl)- | [Molecular Formula]
C12H7BrClN3O2S | [MDL Number]
MFCD11501900 | [MOL File]
252723-17-4.mol | [Molecular Weight]
372.62 |
| Chemical Properties | Back Directory | [Boiling point ]
546.4±60.0 °C(Predicted) | [density ]
1.83±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
1.10±0.30(Predicted) |
| Hazard Information | Back Directory | [Synthesis]
5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (3.0 g, 13 mmol) was dissolved in DMF (40 mL) at 0 °C and NaH (60% w/w in mineral oil, 720 mg, 18.1 mmol) was added slowly. The reaction mixture was stirred at 0 °C for 30 min under nitrogen protection. Subsequently, benzenesulfonyl chloride (1.7 g, 13 mmol) was added dropwise, and the reaction mixture was warmed to room temperature and stirring was continued for 2 hours. Upon completion of the reaction, water (200 mL) was added to induce precipitation. The precipitate was collected by filtration and dried under vacuum to afford 7-benzenesulfonyl-5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (4.9 g, 100% yield) as a white solid. The product was characterized by 1H NMR (DMSO-d6, 400 MHz): δ 8.85 (1H, s), 8.45 (1H, s), 8.19 (2H, d, J=8.7Hz), 7.81 (1H, t, J=7.4Hz), 7.70 (2H, t, J=7.8Hz). | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 19, p. 5607 - 5612 [2] Patent: WO2005/51304, 2005, A2. Location in patent: Page/Page column 117 [3] Patent: WO2005/51304, 2005, A2. Location in patent: Page/Page column 117 [4] Patent: US6635762, 2003, B1. Location in patent: Page/Page column 26 [5] Patent: US2009/42893, 2009, A1. Location in patent: Page/Page column 14 |
|
| Company Name: |
SynAsst Chemical.
|
| Tel: |
021-60343070 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15848/0_EN.htm |
| Company Name: |
Cool Pharm, Ltd
|
| Tel: |
021-58581007 18019463053 |
| Website: |
http://www.coolpharm.com.cn |
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Synthonix Inc
|
| Tel: |
001-9198759277 |
| Website: |
www.synthonix.com |
| Company Name: |
A.J Chemicals
|
| Tel: |
91-9810153283 |
| Website: |
www.ajchemicals.com |
|