ChemicalBook--->CAS DataBase List--->957135-12-5

957135-12-5

957135-12-5 Structure

957135-12-5 Structure
IdentificationBack Directory
[Name]

(5S,8S,10aR)-Methyl 5-(tert-butoxycarbonylaMino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
[CAS]

957135-12-5
[Synonyms]

UKRIZEJDRITPFH-WOPDTQHZSA-N
(5S,8S,10aR)-Methyl 5-((tert-butoxycarbonyl)amino)
(5S,8S,10aR)-Methyl 5-(tert-butoxycarbonylaMino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
methyl (5S,8S,10aR)-5-{[(tert-butoxy)carbonyl]amino}-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
Pyrrolo[1,2-a][1,5]diazocine-8-carboxylic acid, 5-[[(1,1-diMethylethoxy)carbonyl]aMino]decahydro-6-oxo-, Methyl ester, (5S,8S,10aR)-
methyl (5S,8S,10aR)-5-(tert-butoxycarbonylamino)-6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate - 97%
methyl (5S,8S,10aR)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate
[Molecular Formula]

C16H27N3O5
[MDL Number]

MFCD16877488
[MOL File]

957135-12-5.mol
[Molecular Weight]

341.4
Chemical PropertiesBack Directory
[Boiling point ]

501.5±50.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

11.42±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C16H27N3O5/c1-16(2,3)24-15(22)18-11-9-17-8-7-10-5-6-12(14(21)23-4)19(10)13(11)20/h10-12,17H,5-9H2,1-4H3,(H,18,22)/t10-,11+,12+/m1/s1
[InChIKey]

UKRIZEJDRITPFH-WOPDTQHZSA-N
[SMILES]

N12[C@H](C(OC)=O)CC[C@]1([H])CCNC[C@H](NC(OC(C)(C)C)=O)C2=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

(5S,8S,10aR)-Methyl 5-(tert-butoxycarbonylaMino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate(957135-12-5)1HNMR
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