HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tert-butyl 1,4-diazepane-1-carboxylate → 4-[[3-[(Hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Tert-butyl 1,4-diazepane-1-carboxylate | HCID 2756058 | — |
| Reactant | 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid | HCID 25131906 | — |
| Product | 4-[[3-[(Hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone | HCID 25132256 | 97% |
Reaction Steps
The synthesis was carried out according to the method described in (a) above using 3-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic acid (A) and tert-butyl 1-homopiperazine carboxylate to yield 4-[3-([1,4]diazepane-1-carbonyl)benzyl]-2H-phthalazin-1-one (3) as a grey crystalline solid (5.3 g, 97%); m/z [M+1]+ 363 (97% purity); δH 2.6-3.8 (10H, m), 4.4 (2H, s), 7.2-7.5 (4H, m), 7.7-8.0 (3H, m), 8.2-8.3 (1H, m), 12.6 (1H, s).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09169235B2 |
| Source dataset | uspto-grants-2015_10 |
| ORD ID | ord-e0b3630499cd4d74b32fa7db2f4e66c0 |
| Source note | uspto-grants-2015_10 |