3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE
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![3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d5b2351c35cb4e40af6570b2a586400a.png "3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE")
3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE
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CAS No:
5617-74-3
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Formula:
C5H4O3
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Chemical Name:
3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE
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Synonyms:
3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE;1,2-CYCLOPROPANE DICARBOXYLIC ANHYDRIDE;3-Oxabicyclo[3.1.0]hexane-2,4-dione,98%;3-Oxabicyclo[3.1.0]hexane-2,4-dione, 97+%;CYCLOPROPANE-2,3 DICARBOXYLIC ACID ANHYDRIDE;Cyclopropane-1,2-dicarboxylic acid anhydride;3-Oxabicyclo[3.1.0]hexane-2,4-dione, 2,4-Dioxo-3-oxabicyclo[3.1.0]hexane
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CAS No:
Characteristics
43.4
-0.3
white crystals or crystalline powder
1.6±0.1 g/cm3
59-61ºC(lit.)
280.5°C at 760 mmHg
143.3±15.9 °C
1.556
Safety Information
NONH for all modes of transport
3
R36/37/38
37/39-26
Xi: Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE Use and Manufacturing
In a 500mL three necked bottle, 2 (130 g, 1 mol) and aceticanhydride (255 g, 2.5 mol) were heated to reflux in about140°C with mechanic stirring in an oil bath. After refluxingfor 2 hours, the temperature was raised with distillation ofacetic acid and acetic anhydride one after another slowly.When the temperature of reaction mixture was raised tonearly 220°C, the residue was kept at this condition for another1 hours. After cooled to about 120°C, 3 was obtainedby vacuum distillation (1 mmHg, 106~108°C) as a whitecrystal (87g, GC: 99.82percent, yield: 81percent). mp:56~58°C (Lit.[20]:54~56°C). 1H-NMR (300 MHz, DMSO-d6). 2.90-2.94(2H, m), 1.81-1.85 (1H, m), 1.59-1.67 (1H, m).
Computed Properties
Molecular Weight:112.08
XLogP3:-0.3
Hydrogen Bond Acceptor Count:3
Exact Mass:112.016043985
Monoisotopic Mass:112.016043985
Topological Polar Surface Area:43.4
Heavy Atom Count:8
Complexity:155
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE
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