Allyl (11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
Basic information
- CAS
1430738-28-5- Standard SMILES
C=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C- InChIKey
GQLNVCDDBLGRFD-AVRDEDQJSA-N- Molecular formula
- C24H34N2O6Si
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- Allyl (11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
- IUPAC
- prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
- English name
- 1H-Pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylic acid, 11-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-11,11a-dihydro-8-hydroxy-7-methoxy-2-methyl-5-oxo-, 2-propen-1-yl ester, (11S,11aS)-
- Molecular formula
- C24H34N2O6Si
- Molecular weight
- 474.62
Names & synonyms
1430738-28-5Allyl (11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylateAllyl (11S,11aS)-11-[(tert-Butyldimethylsilyl)oxy]-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylateSCHEMBL15691377SCHEMBL30443130GQLNVCDDBLGRFD-AVRDEDQJSA-NEX-A12428EMFCD34470936SY367714CS-0140233F82771F619224
Show more names
PBD Intermediate (28-5)1H-Pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylic acid, 11-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-11,11a-dihydro-8-hydroxy-7-methoxy-2-methyl-5-oxo-, 2-propen-1-yl ester, (11S,11aS)-
(11 S,11aS)-allyl 11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate(11S,11aS)-allyl 11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10 (5H)-carboxylate(11S,11aS)-allyl 11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate1H-Pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylic acid, 11-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-11,11a-dihydro-8-hydroxy-7-methoxy-2-methyl-5-oxo-, 2-propen-1-yl esterAllyl(11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
Properties
Computed structural properties
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 807
Physicochemical properties
- Boiling point
- 580.7 · 580.7±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 7.95 · 7.95±0.60(Predicted)
- Appearance
- White to off-white Solid
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…