| Identification | Back Directory | [Name]
7-Benzenesulfonyl-4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyri midine | [CAS]
252723-16-3 | [Synonyms]
4-Chloro-6-methyl-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine 7-Benzenesulfonyl-4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyri midine 4-Chloro-6-methyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-methyl-7-(phenylsulfonyl)- | [Molecular Formula]
C13H10ClN3O2S | [MDL Number]
MFCD12407798 | [MOL File]
252723-16-3.mol | [Molecular Weight]
307.76 |
| Chemical Properties | Back Directory | [Boiling point ]
511.4±60.0 °C(Predicted) | [density ]
1.49±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
1.93±0.30(Predicted) |
| Hazard Information | Back Directory | [Synthesis]
Step 2: 4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine (3 g, 12.6 mmol, 1.0 eq.) and N,N,N',N'-tetramethylethylenediamine (TMEDA) (3.0 mL, 18.9 mmol, 1.5 eq.) were dissolved in tetrahydrofuran (THF) (120 mL), and cooled to -78 °C. The reaction was purified by adding n-butyl lithium (n-BuLi) (7.5 mL, 18.9 mmol, 1.5 eq.). Under stirring, n-butyllithium (n-BuLi) (7.5 mL, 18.9 mmol, 1.5 eq.) was slowly added. after 3 min, iodomethane (C3/4I) (3.7 mL, 59.2 mmol, 4.7 eq.) was added. The reaction mixture was kept stirred at -78 °C for 3 h, followed by a slow warming to room temperature over 1 h. The reaction was completed by the addition of iodomethane (C3/4I). Upon completion of the reaction, the reaction was quenched with saturated ammonium chloride (NH4Cl) solution (10 mL). Extraction was performed by adding ethyl acetate (EtOAc) (200 mL) and water (100 mL). The organic layer was separated, dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford 7-benzenesulfonyl-4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine as a brown solid (6.7 g, 90% yield). | [References]
[1] Patent: WO2012/158795, 2012, A1. Location in patent: Page/Page column 101-102 [2] Patent: WO2012/158764, 2012, A1. Location in patent: Page/Page column 115 [3] Patent: WO2013/191965, 2013, A1. Location in patent: Page/Page column 191 [4] Patent: WO2014/22569, 2014, A1. Location in patent: Page/Page column 96 [5] Patent: US8673925, 2014, B1. Location in patent: Page/Page column 241 |
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SynAsst Chemical.
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BePharm Ltd
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Energy Chemical
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Carbosynth
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