ChemicalBook--->CAS DataBase List--->79200-56-9

79200-56-9

79200-56-9 Structure

79200-56-9 Structure
IdentificationBack Directory
[Name]

((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
[CAS]

79200-56-9
[Synonyms]

(-)-Vince lactam
(-)-VINCE'S LACTAM
2-Azabicyclo[2.2.1]hept-5-en-3-one, (1R)-
(1R)-(-)-2-AZABICYCLO[2.2.1]HEPT-5-EN-3-ONE
(1R,4S)-2-AZA-BICYCLO[2.2.1]HEPT-5-EN-3-ONE
(-)-(1R,4S)-2-Azbicyclo[2.2.1]hept-5-en-3-one
(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one, > 95% ee
(1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one ,98%
(1R,4S)-(-)-2-Azabicyclo [2,2.1]hept-5-ene-3-one
(1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one,98%,> 95%ee
(1R,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one (-)-Vince lactaM
(1R)-(-)-2-AZABICYCLO(2.2.1)HEPT-5-EN-3- ONE, 98+% (99% EE/HPLC)
[EINECS(EC#)]

418-530-1
[Molecular Formula]

C6H7NO
[MDL Number]

MFCD00211274
[MOL File]

79200-56-9.mol
[Molecular Weight]

109.13
Chemical PropertiesBack Directory
[Appearance]

OFF-WHITE TO BEIGE CRYSTALS OR CRYSTALLINE POWDER
[Melting point ]

94-97 °C(lit.)
[Boiling point ]

319.3±0.0 °C(Predicted)
[density ]

1.198±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
[form ]

Crystals or Crystalline Powder
[pka]

15.48±0.20(Predicted)
[color ]

Off-white to beige
[Optical Rotation]

[α]20/D 565°, c = 1 in chloroform
[BRN ]

4230721
[InChI]

InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1
[InChIKey]

DDUFYKNOXPZZIW-UHNVWZDZSA-N
[SMILES]

[C@@]12([H])C[C@@]([H])(C=C1)C(=O)N2
[CAS DataBase Reference]

79200-56-9
Hazard InformationBack Directory
[Chemical Properties]

OFF-WHITE TO BEIGE CRYSTALS OR CRYSTALLINE POWDER
[Uses]

Abacavir intermediate. Used as an intermediate in the synthesis of carbocyclic sugar amines, carbanucleosides, and carbocyclic dinucleotide analogues.
[General Description]

(1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one is a bicyclic γ-lactam.
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H317-H318
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-41-43
[Safety Statements ]

24-26-37/39
[WGK Germany ]

1
[REACH Registrations]

Active
[HS Code ]

29337900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ethyl acetate-->Tetrahydrofuran-->Potassium carbonate-->Ammonium hydroxide-->Paraformaldehyde-->Diisopropyl ether-->tert-Butyl methyl ether-->1,3-Cyclopentadiene-->Vinyl acetate-->Lipase-->Cyanogen bromide-->Sodium p-toluenesulfonate-->10,11-Dimethoxystrychnine-->(1S,4R)-2-Aza-bicyclo[2.2.1]hept-5-en-3-one-->2-Azabicyclo[2.2.1]hept-5-en-3-one
[Preparation Products]

(1R,3S)-3-Aminocyclopentanecarboxylic acid-->(1R,4S)-4-Aminocyclopent-2-enecarboxylic acid-->(1S-cis)-4-Amino-2-cyclopentene-1-methanol-->(S)-4-((tert-butoxycarbonyl)amino)cyclopent-1-enecarboxylic acid
Spectrum DetailBack Directory
[Spectrum Detail]

((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one(79200-56-9)1HNMR
((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one(79200-56-9)IR
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