3-Oxetanone

Bezeichnung:3-Oxetanone

CAS-Nr6704-31-0

Englisch Name:3-Oxetanone

CBNumberCB81235205

SummenformelC3H4O2

Molgewicht72.06

MOL-Datei6704-31-0.mol

3-Oxetanone physikalisch-chemischer Eigenschaften

Siedepunkt	140 °C
Dichte	1.231
Flammpunkt	53 °C
Brechungsindex	1.426
storage temp.	-20°C
Löslichkeit	Miscible with tetrahydrofuran.
Aggregatzustand	clear liquid
Farbe	Colorless to Red to Green
InChI	InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2
InChIKey	ROADCYAOHVSOLQ-UHFFFAOYSA-N
SMILES	O1CC(=O)C1

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	10-22-37/38-41-43
S-Sätze:	16-26-36/37/39
RIDADR	1993
WGK Germany	3
HazardClass	3
HazardClass	IRRITANT
PackingGroup	Ⅲ
HS Code	29329990

Gefahreninformationscode (GHS)

3-Oxetanone Chemische Eigenschaften,Einsatz,Produktion Methoden

Chemische Eigenschaften
Colorless liquid
Verwenden
3-Oxetanone can be used to synthesize:
- Various oxetane-containing lead compounds with improved solubility, reduced lipophilicity and amphiphilicity.
- (Hydroxymethyl)oxazoles and (hydroxymethyl)thiazoles via single-step microwave mediated reaction with primary amides and thioamides, respectively.
- Oxetane containing spirocycles through thermal 1,3-dipolar cycloaddition reaction with α-amino acids or secondary α-amino acid esters.
Verwenden
3-Oxetanone is used as a starting material for the preparation of other oxetanes compounds, which are of pharmacological interest. It is also considered as an object for theoretical studies.
Definition
3-oxetanone (1,3-epoxy2-propanone, c?C3H4O2) is a highly strained molecule functional in ring expansion and addition reactions. This molecule has also been proposed as a decomposition product of acetonylperoxy radical in the atmosphere. 3-oxetanone is suspected in the decomposition of the acetonylperoxy radical, an intermediate formed during the atmospheric processing of acetone. Atmospheric acetone degradation produces the acetonyl radical, CH3C(O)CH2, which reacts with O2 to form the acetonylperoxy radical. Rate constants predicted by a canonical variational theory/small-curvature tunneling method show that the radical isomerising produces 3-oxetanone and hydroxyl radical. These are the dominant products in the 250?2000 K range. There is no significant branching to other products below 1200 K. The only published study of the dissociation of 3-oxetanone is a Rice-Ramsperger-KasselMarcus (RRKM) analysis of the unimolecular rate constant for the photolysis of 3-oxetanone, producing ketene and formaldehyde[1-2].
Allgemeine Beschreibung
Product may polymerize over time during storage.
Einzelnachweise
[1] Sumitra Godara, Manikandan Paranjothy, Pooja Verma. “Dissociation Chemistry of 3-Oxetanone in the Gas Phase.” The Journal of Physical Chemistry A 121 36 (2017): 6679–6686.
[2] Emily M. Wright. “Pyrolysis Reactions of 3-Oxetanone.” The Journal of Physical Chemistry A 119 29 (2015): 7966–7972.

3-Oxetanone Upstream-Materialien And Downstream Produkte

3-Oxetanone Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

6704-31-0, 3-Oxetanone Verwandte Suche:

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