HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2363322Generated: October 26, 2026
Diisopropylethylamine → methyl 4-{3-(cyanomethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-3-fluorobenzoate
https://huagongshe.com/reaction/2363322
Participants
| Role | Name | HCID | Charge |
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| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | Methyl 3,4-difluorobenzoate | HCID 2775358 | — |
| Reactant | HCID 86675750 | HCID 86675750 | — |
| Solvent | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | methyl 4-{3-(cyanomethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-3-fluorobenzoate | HCID 71143706 | 33% |
Reaction Steps
N,N-Diisopropylethylamine (1.6 mL, 9.5 mmol) was added to {3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile TFA salt (2.4 mmol) and methyl 3,4-difluorobenzoate (0.41 g, 2.4 mmol) (Aldrich, Cat. #: 594717) in N-methylpyrrolidinone (NMP) (5.0 mL). The reaction mixture was stirred at 130° C. overnight. The reaction mixture was worked up with saturated aqueous NaHCO3, extracted with ethyl acetate (3×20 mL). The combined organic layers were washed with brine, dried over MgSO4, filtered and concentrated under reduced pressure. The residue was purified by flash chromatography on a silica gel column with methanol in dichloromethane (0-5%) to afford the desired product (0.34 g, 33%). LCMS (M+H)+: m/z=431.1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08691807B2 |
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| Source dataset | uspto-grants-2014_04 |
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| ORD ID | ord-9f9b36b69f664c3c843d39890f7a38bc |
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| Source note | uspto-grants-2014_04 |
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