2-Azabicyclo[2.2.1]hept-5-en-3-one
Synonym(s):(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one;4-Amino-2-cyclopentene-1-carboxylic acid lactam
- CAS NO.：49805-30-3
- Empirical Formula: C6H7NO
- Molecular Weight: 109.13
- MDL number: MFCD00213364
- EINECS: 421-830-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-13 13:23:53
![2-Azabicyclo[2.2.1]hept-5-en-3-one Structural](https://img.chemicalbook.in/CAS/GIF/49805-30-3.gif)
What is 2-Azabicyclo[2.2.1]hept-5-en-3-one?
Chemical properties
solid
The Uses of 2-Azabicyclo[2.2.1]hept-5-en-3-one
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.
The Uses of 2-Azabicyclo[2.2.1]hept-5-en-3-one
Intermediate for pharmaceuticals. Product Data Sheet
The Uses of 2-Azabicyclo[2.2.1]hept-5-en-3-one
2-Azabicyclo[2.2.1]hept-5-en-3-one was used in:
- preparation of (3aS,4R,6R,6aR)-6-((methoxy-methoxy)methyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-amine, a precursor of analog of bredinin
- synthesis of therapeutic drugs
- chemoenzymatic synthesis of (?)-carbovir
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.
Properties of 2-Azabicyclo[2.2.1]hept-5-en-3-one
| Melting point: | 54-58 °C(lit.) |
| Boiling point: | 102-106 °C0.25 mm Hg(lit.) |
| Density | 1.1143 (rough estimate) |
| vapor pressure | 0.3-1.06Pa at 25-40℃ |
| refractive index | 1.5040 (estimate) |
| Flash point: | >230 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | Crystalline Powder |
| pka | 15.48±0.20(Predicted) |
| color | Off-white to beige |
| Water Solubility | >1000 g/L (23 ºC) |
| BRN | 508342 |
| CAS DataBase Reference | 49805-30-3(CAS DataBase Reference) |
Safety information for 2-Azabicyclo[2.2.1]hept-5-en-3-one
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
Computed Descriptors for 2-Azabicyclo[2.2.1]hept-5-en-3-one
| InChIKey | DDUFYKNOXPZZIW-UHFFFAOYSA-N |
2-Azabicyclo[2.2.1]hept-5-en-3-one manufacturer
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product: 2-Azabicyclo[2.2.1]hept-5-en-3-one 49805-30-3 98%
ChemiSyn
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product: 2-Azabicyclo[2.2.1]hept-5-en-3-one
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