HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1892124Generated: October 30, 2026
Diisopropylethylamine → HCID 178430833, compound
https://huagongshe.com/reaction/1892124
Participants
| Role | Name | HCID | Charge |
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| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | (S)-5-methyl-4-(3-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | HCID 68958720 | — |
| Reactant | HCID 178512252 | HCID 178512252 | — |
| Reactant | HCID 178512254 | HCID 178512254 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 178430833 | HCID 178430833 | 27% |
Reaction Steps
Phenyl N′-cyano-N-(3-fluorophenyl)carbamimidate, prepared analogously to phenyl N-3-chlorophenyl-N′-cyanocarbamimidate from Example 6, step A, (0.55 g, 2.2 mmol), (S)-5-methyl-4-(3-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, from example 1, step B, (0.50 g, 2.2 mmol), and N,N-diisopropylethylamine (1 ml) were added to acetonitrile (10 ml). The mixture was heated at 85° C. in a sealed pressure tube for 4 hours. The solvent was evaporated, and the residue was purified prep HPLC (Sunfire C18 30×250 mm column. 10-100% MeCN:H2O (10 mM NH4OAc), 18 min., 45 ml/min) to give (S)—N′-cyano-N-(3-fluorophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide (0.23 g, 0.58 mmol, 27%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08507672B2 |
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| Source dataset | uspto-grants-2013_08 |
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| ORD ID | ord-f14392d52b36482b827fee5f3eec4aeb |
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| Source note | uspto-grants-2013_08 |
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