Cat.NO.:A912355 Purity:98%
Product Details of [ 1003309-09-8 ]
| CAS No. : | 1003309-09-8 |
| Formula : |
C16H22BNO3 |
| M.W : |
287.16
|
| SMILES Code : | O=C1N(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CCC1 |
| MDL No. : | MFCD22415356 |
| InChI Key : | YYSWCEFASKJARU-UHFFFAOYSA-N |
| Pubchem ID : | 24774209 |
Safety of [ 1003309-09-8 ]
| GHS Pictogram: |  |
| Signal Word: | Warning |
| Hazard Statements: | H315-H319-H335 |
| Precautionary Statements: | P261-P305+P351+P338 |
Application In Synthesis of [ 1003309-09-8 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
- Downstream synthetic route of [ 1003309-09-8 ]
[ 1003309-09-8 ] Synthesis Path-Downstream 1~2
- 1
[ 1003309-09-8 ]
[ 442127-50-6 ]
- 1-(4-(2-amino-6-chloropyri din-3-yl)phenyl)pyrrolidin-2-one [ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 17% | With (1,1′-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; In 1,4-dioxane; water; at 80℃; for 4.0h; | Step 1: Preparation of l-(4-(2-amino-6-chloropyridin-3-yl)phenyl)pyrrolidin-2-one. [0815] l-(4-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)phenyl)pyrrolidin-2-one (900 mg, 3.13 mmol), <strong>[442127-50-6]3-bromo-6-chloropyridin-2-amine</strong> (500 mg, 2.41 mmol), K3PO4 (1.53 g, 7.23 mmol) and Pd(dppf)Ch (70 mg, 0.096 mmol) were taken up in dioxane (15 mL) and H2O (3 mL). The resulting mixture was stirred at 80 C for 4 hours. A black solution was formed. LCMS showed the purity of the desired product is 48% (Rt = 0.715 min; MS Calcd: 287.1; MS Found: 287.8 [M+H]+). TLC showed the starting material was remained. The mixture was concentrated under reduced pressure. The residue was purified by Combi Flash (90% EA in PE) to give impure product (240 mg) as a yellow solid, then triturated with EA: PE = 1: 1 (10 mL) for 1 hour to give 1-(4-(2-amino-6-chloropyri din-3 -yl)phenyl)pyrrolidin-2-one (121 mg, yield: 17%) as a light yellow solid. NMR (400 MHz, CDCh) d 2.15-2.23 (2H, m), 2.64 (2H, t, J= 8.0 Hz), 3.91 (2H, t, J =7.2 Hz), 4.58 (2H, brs), 6.48 (2H, d, J= 8.0 Hz), 7.42 (2H, dd, J= 8.8, 2.0 Hz), 7.67 (2H, d, J= 8.8 Hz). |
- 2
- [ 1003309-09-8 ]
- [ 442127-50-6 ]
- (S)-2-((6-amino-5-(4-(2-oxopyrrolidin-1-yl)phenyl)pyridin-2-yl)amino)-6,6a,7,8-tetrahydro-9H-pyrido[2,3-b]pyrrolo[1,2-d][1,4]oxazin-9-one [ No CAS ]
References: [1]Patent: WO2019/126731,2019,A1 .
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