tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate
![tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate Structure](https://image.chemsrc.com/caspic/002/106927-97-3.png)
tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate structure
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Common Name | tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 106927-97-3 | Molecular Weight | 413.46700 | |
| Density | 1.337 g/cm3 | Boiling Point | 538.028ºC at 760 mmHg | |
| Molecular Formula | C22H27N3O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 279.189ºC | |
Summary: (1S,9S)-9-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)octahydro-10-oxo-6H-pyrido[1,2-a][1,2]diazepin-1-carboxylic acid tert-butyl ester, with the English name tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate, CAS number 106927-97-3, molecular formula C22H27N3O5, molecular weight 413.46700. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.337 g/cm3 |
|---|---|
| Boiling Point | 538.028ºC at 760 mmHg |
| Molecular Formula | C22H27N3O5 |
| Molecular Weight | 413.46700 |
| Flash Point | 279.189ºC |
| Exact Mass | 413.19500 |
| PSA | 87.23000 |
| LogP | 1.80840 |
| InChIKey | FARFFIGGGRCEFT-SJORKVTESA-N |
| SMILES | CC(C)(C)OC(=O)C1CCCN2CCCC(N3C(=O)c4ccccc4C3=O)C(=O)N12 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
![TERT-BUTYL (1S,9S)-6,10-DIOXO-9-PHTHALIMIDOOCTAHYDROPYRIDAZO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLATE structure](https://image.chemsrc.com/caspic/270/106928-72-7.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
![1-(S)- CIS 9-AMINOOCTAHYDRO-10-OXO-6H-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID, T-BUTYL ESTER structure](https://image.chemsrc.com/caspic/273/106860-20-2.png)
CAS#:106860-20-2
CAS#:88768-40-5This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| t-butyl octahydro-10-oxo-9-(S)-phthalimido-6H-pyridazo[1,2-a][1,2]diazepine-1-(S)carboxylate |
| (1S,9S)-t-butyl octahydro-10-oxo-9-phthalimido-6H-pyridazino<1,2-a><1,2>diazepine-1-carboxylate |
| (1S,9R)-tert-Butyl 9-(1,3-dioxoisoindolin-2-yl)-10-oxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: Related downstream products(CAS) of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate: 106860-20-2;88768-40-5. |
| Q: What is the CAS number of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: CAS number of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is 106927-97-3. |
| Q: What is the molecular formula of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: Molecular formula of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is C22H27N3O5. |
| Q: What is the boiling point of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: Boiling point of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is 538.028ºC at 760 mmHg. |
| Q: What is the English name of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: The English name of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate. |
| Q: What is the polar surface area (PSA) of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: Polar surface area (PSA) of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is 87.23000. |
| Q: What is the molecular weight of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: Molecular weight of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is 413.46700. |
| Q: What is the LogP of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: LogP of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is 1.80840. |
| Q: What are the upstream materials of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: Related upstream materials(CAS) of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate: 106928-72-7;88767-16-2;72064-51-8;88784-33-2. |
| Q: What is the InChIKey of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate? |
| A: InChIKey of tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate is FARFFIGGGRCEFT-SJORKVTESA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |