(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one
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![(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/29632d0447744013bb24447fd27421ee.png "(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one")
(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one
structure -
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CAS No:
49805-30-3
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Formula:
C6H7NO
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Chemical Name:
(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one
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Synonyms:
2-Azabicyclo[2.2.1]hept-5-en-3-one;(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one;(±)-Vince lactam;Vince lactam;Rac-Vince lactam;3-Azabicyclo[2.2.1]hept-5-en-2-one;61865-48-3
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CAS No:
Characteristics
29.1
0.1
Off-white to beige Crystalline Powder
1.2±0.1 g/cm3
50 °C
102-106 °C0.25 mm Hg(lit.)
>230 °F
1.546
H2O: >1000 g/L (23 ºC)
Refrigerator
Safety Information
NONH for all modes of transport
1
36/37/38-43-22
26-36-36/37
Xi,Xn
P280
H302-H317
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 9 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one Use and Manufacturing
In the with of the thermometer and the tail gas absorption device 1000 ml of in [...], adding 500 ml of methanol, 50 g cross-linked polystyrene-sulfinyl and sodium 5.0 g of cyclopentadiene, control low-temperature 0 - 5 °C, slow access 2.5 g cyanogen chloride gas, at the same time dropping 5percent of sodium hydroxide in an alcoholic solution, control pH value is 4 - 5 between. The end of the dropping, the reaction to 8 hours. Filtering, separating out the solid.This solid is added to the 100 ml 5percent alcoholic solution of acetate, to continue the reaction at room temperature for 8 hours, filtering the solid catalyst particles, the filtrate is concentrated, separating white crystal product, is azabicyclo [2, 2, 1] heptyl -5 - ene -3 - one, the product quality is 4.21 g, yield is 95percent (relative to the cyanogen chloride), purity 99.5percent.
Abacavir intermediate. Used as an intermediate in the synthesis of carbocyclic sugar amines, carbanucleosides, and carbocyclic dinucleotide analogues
Computed Properties
Molecular Weight:109.13
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:109.052763847
Monoisotopic Mass:109.052763847
Topological Polar Surface Area:29.1
Heavy Atom Count:8
Complexity:162
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(±)-2-Azabicyclo[2.2.1]hept-5-en-3-one
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