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ChemicalBook--->CAS DataBase List--->49805-30-3

49805-30-3

49805-30-3 Structure

49805-30-3 Structure
IdentificationMore
[Name]

2-Azabicyclo[2.2.1]hept-5-en-3-one
[CAS]

49805-30-3
[Synonyms]

(+/-)-2-AZABICYCLO[2.2.1]HEPT-5-EN-3-ONE
2-AZABICYCLO[2.2.1]HEPT-5-EN-3-ONE
4-Amino-2-cyclopentene-1-carboxylic acid
4-AMINO-2-CYCLOPENTENE-1-CARBOXYLIC ACID LACTAM
vince lactam
2-Azabicyclo-(2,2,1)-heptan-5-ene-3-one
2-Arabicyclo[2.2.1]hept-5-en-3-one
(+/-)-2-Azabicyclo[2.2.1]hept-
2-AZABICYCLO(2.2.1)HEPT-5-EN-3-ONE, (VINCE LACTAM)
2-Azabicyclo(2,2,1,)hept-5-en-3-on
Vince Lactam (2-azabicyclo[2.2.1]hept-5-en-3-one)
2-AZABICYCLO(2.2.1)HEPT-5-EN-3-ONE, 99% (VINCE LACTAM)
(+/-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one, 4-Amino-2-cyclopentene-1-carboxylic acid lactam
3-Azabicyclo[2.2.1]hepta-5-ene-2-one
[EINECS(EC#)]

421-830-3
[Molecular Formula]

C6H7NO
[MDL Number]

MFCD00213364
[Molecular Weight]

109.13
[MOL File]

49805-30-3.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

54-58 °C(lit.)
[Boiling point ]

102-106 °C0.25 mm Hg(lit.)
[density ]

1.1143 (rough estimate)
[refractive index ]

1.5040 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator
[form ]

Crystalline Powder
[pka]

15.48±0.20(Predicted)
[color ]

Off-white to beige
[Water Solubility ]

>1000 g/L (23 ºC)
[Usage]

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

508342
[InChIKey]

DDUFYKNOXPZZIW-UHFFFAOYSA-N
[CAS DataBase Reference]

49805-30-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

1
[HS Code ]

29337900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Dichloromethane-->Acetic acid-->PETROLEUM ETHER-->Magnesium sulfate-->1,3-Cyclopentadiene-->Dicyclopentadiene-->Tosyl cyanide
[Preparation Products]

(-)-(1S,4R)-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACID-->((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one-->RaceMic tert-butyl 3,6-diazabicyclo[3.2.1]octane-6-carboxylate-->(1S-cis)-4-Amino-2-cyclopentene-1-methanol-->Tert-Butyl2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate-->(+)-(1S,3R)-N-BOC-3-AMINOCYCLOPENTANECARBOXYLIC ACID-->5,6-Dihydroxy-2-Azabicyclo[2.2.1]Heptan-3-One-->1-Cyclopentene-1-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

Abacavir intermediate. 2-Azabicyclo[2.2.1]hept-5-en-3-one is used as an intermediate in the synthesis of carbocyclic sugar amines, carbanucleosides, and carbocyclic dinucleotide analogues.
[Uses]

Intermediate for pharmaceuticals. Product Data Sheet
[General Description]

2-Azabicyclo[2.2.1]hept-5-en-3-one is also referred as vince lactam. It is a versatile intermediate in the synthesis of carbocyclic nucleosides. 2-Azabicyclo[2.2.1]hept-5-en-3-one and its monohydrated complex was investigated in a supersonic jet by Fourier transform microwave spectroscopy.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Azabicyclo[2.2.1]hept-5-en-3-one(49805-30-3)MS
2-Azabicyclo[2.2.1]hept-5-en-3-one(49805-30-3)1HNMR
2-Azabicyclo[2.2.1]hept-5-en-3-one(49805-30-3)IR1
2-Azabicyclo[2.2.1]hept-5-en-3-one(49805-30-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

[Sigma Aldrich]

49805-30-3(sigmaaldrich)
[TCI AMERICA]

2-Azabicyclo[2.2.1]hept-5-en-3-one,>98.0%(GC)(49805-30-3)
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