| Identification | Back Directory | [Name]
(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate | [CAS]
1146629-75-5 | [Synonyms]
(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
(4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)metethyl pivlateala
(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate
Propanoic acid, 2,2-dimethyl-, (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl ester | [Molecular Formula]
C12H14ClN3O2 | [MDL Number]
MFCD29060065 | [MOL File]
1146629-75-5.mol | [Molecular Weight]
267.711 |
| Chemical Properties | Back Directory | [Boiling point ]
390.0±32.0 °C(Predicted) | [density ]
1.30±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
2.81±0.30(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C12H14ClN3O2/c1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16/h4-6H,7H2,1-3H3 | [InChIKey]
DTPDTZKIIYSQPO-UHFFFAOYSA-N | [SMILES]
C(OCN1C2C(C=C1)=C(Cl)N=CN=2)(=O)C(C)(C)C | [CAS DataBase Reference]
1146629-75-5 |
| Hazard Information | Back Directory | [Synthesis]
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (25 g) and chloromethyl pivalate (27 g) were used as raw materials and potassium carbonate (27 g) and N,N-dimethylformamide (100 mL) were added to the reaction vessel. The reaction mixture was stirred at ambient temperature for 14 h. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, water (250 mL) was added to the mixture and stirring was continued for 2 hours. Subsequently, the reaction mixture was filtered, the filter cake was washed with water (50 mL) and finally dried under reduced pressure at 40 °C to 45 °C for 12 h to afford (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate in 98.85% yield. | [References]
[1] Patent: WO2016/88094, 2016, A1. Location in patent: Page/Page column 10
[2] Organic Letters, 2009, vol. 11, # 9, p. 1999 - 2002
[3] Patent: US2010/190981, 2010, A1. Location in patent: Page/Page column 73-75
[4] Patent: CN107226814, 2017, A. Location in patent: Paragraph 0039-0040; 0042; 0044; 0046; 0048; 0050
[5] Patent: US2009/233903, 2009, A1. Location in patent: Page/Page column 67-68 |
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