3-Methyl-3-oxetanemethanol

Bezeichnung:3-Methyl-3-oxetanemethanol

CAS-Nr3143-02-0

Englisch Name:3-Methyl-3-oxetanemethanol

CBNumberCB1418754

SummenformelC5H10O2

Molgewicht102.13

MOL-Datei3143-02-0.mol

3-Methyl-3-oxetanemethanol physikalisch-chemischer Eigenschaften

Siedepunkt	80 °C/40 mmHg (lit.)
Dichte	1.024 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.446(lit.)
Flammpunkt	210 °F
storage temp.	2-8°C
Löslichkeit	Soluble in chloroform, methanol.
Aggregatzustand	Liquid
pka	14.58±0.10(Predicted)
Wichte	1.024
Farbe	Clear colorless to pale yellow
BRN	102773
InChI	InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKey	NLQMSBJFLQPLIJ-UHFFFAOYSA-N
SMILES	O1CC(C)(CO)C1
CAS Datenbank	3143-02-0(CAS DataBase Reference)
NIST chemische Informationen	3-Methyl-3-oxetanemethanol(3143-02-0)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	43
S-Sätze:	23-24/25-36/37
WGK Germany	3
HS Code	29329990

Gefahreninformationscode (GHS)

3-Methyl-3-oxetanemethanol Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R43:Sensibilisierung durch Hautkontakt möglich.
S-Sätze Betriebsanweisung:
S23:Gas/Rauch/Dampf/Aerosol nicht einatmen(geeignete Bezeichnung(en) vom Hersteller anzugeben).
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
Chemische Eigenschaften
Clear colorless to pale yellow liquid
Verwenden
3-Methyl-3-oxetanemethanol has been used in the preparation of star-shaped copolymer consisting of a hyperbranched poly(3-methyl-3-oxetanemethanol) core and polytetrahydrofuran arms, pyridyl disulfide-functionalized cyclic carbonate monomer, required for the synthesis of of functional poly(ε-caprolactone) containing pendant pyridyl disulphide groups and δ-lactams. It is used to synthesize octahydroindole alkaloids and γ-butenolides.
Definition
ChEBI: (3-Methyl-3-oxetanyl)methanol is a 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol.
Synthesis Reference(s)
Tetrahedron Letters, 24, p. 5571, 1983 DOI: 10.1016/S0040-4039(00)94143-1
läuterung methode
Purify the oxetane by fractionation through a glass column [Pattison J Am Chem Soc 79 3455 1957, Corey et al. J Am Chem Soc 106 2736 1984]. [Beilstein 17 III/IV 1128.]
Structure and conformation
Sun et al. found that the microsolvation effects influence the conformation of the 3-methyl-3-oxetanemethanol geometry. The hydrogen-bond arrangements in the hydrate complexes, governed by the water-water and water-solute interactions, exhibit characteristic configurations with an increasing number of water molecules and resemble the main isomers of the corresponding pure water clusters. In the jet expansion, two conformations are adopted by the 3-Methyl-3-oxetanemethanol (MOM) monomer, namely gauche- and cis-O4C1C6O7. As the cis conformer provides a better interaction space, most observed MOM-water clusters are formed with the cis conformation, even though the gauche conformer is energetically favored. Starting with the MOM monohydrate and dihydrate, 1D H-bonded chains are formed between the two oxygen atoms of MOM. The interplay between the MOM conformation and the water chain is observed. For the MOM trihydrate and tetrahydrate, 2D H-bonded rings are more favored than the 1D chain, restricted by the space between the two MOM oxygen atoms[1].
Einzelnachweise
[1] Dr. Wenhao Sun, Prof. Dr. Melanie Schnell. “Microhydrated 3-Methyl-3-oxetanemethanol: Evolution of the Hydrogen-Bonding Network from Chains to Cubes.” Angewandte Chemie 134 49 (2022).

3-Methyl-3-oxetanemethanol Upstream-Materialien And Downstream Produkte

3-Methyl-3-oxetanemethanol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

3143-02-0, 3-Methyl-3-oxetanemethanol Verwandte Suche:

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