ChemicalBook--->CAS DataBase List--->7748-36-9

7748-36-9

7748-36-9 Structure

7748-36-9 Structure
IdentificationBack Directory
[Name]

Oxetan-3-ol
[CAS]

7748-36-9
[Synonyms]

3-Oxetanol
Ooetan-3-ol
Oxetan-3-ol
3-Oxetanol>
3-HYDROXYOXETANE
Oxetan-3-ol, >=97%
1,3-Epoxy-2-propanol
3-Hydroxyoxetane 95%
Oxetan-3-ol, 1,3-Epoxypropan-2-ol
3 - hydroxyl oxygen heterocyclic butane
[EINECS(EC#)]

663-648-9
[Molecular Formula]

C3H6O2
[MDL Number]

MFCD09056790
[MOL File]

7748-36-9.mol
[Molecular Weight]

74.08
Chemical PropertiesBack Directory
[Boiling point ]

153℃
[density ]

1.167
[refractive index ]

1.438
[Fp ]

87°(189°F)
[storage temp. ]

Room temperature.
[solubility ]

Chloroform (Soluble), Methanol (Slightly)
[form ]

Liquid
[pka]

13.68±0.20(Predicted)
[color ]

Clear colorless
[InChI]

InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2
[InChIKey]

QMLWSAXEQSBAAQ-UHFFFAOYSA-N
[SMILES]

O1CC(O)C1
Hazard InformationBack Directory
[Chemical Properties]

Colorless Transparent Liquid
[Uses]

3-Oxetanol is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.
[Synthesis]

3-(Benzyloxy)oxetane

95257-22-0

Oxetan-3-ol

7748-36-9

General procedure for the synthesis of oxetan-3-ol from 3-(phenylmethoxy)oxetane: 3-(phenylmethoxy)oxetane (59 g, 0.41 mol) and 10% palladium/carbon catalyst were added to methanol (1000 mL) in an autoclave. The hydrogenation reaction was completed by reacting under hydrogen atmosphere (10 atm) at 40°C for 24 hours. Upon completion of the reaction, the palladium/carbon catalyst was removed by filtration, followed by concentration under reduced pressure to remove the solvent. The colorless liquid product oxetan-3-ol (142.63 g) was obtained by distillation in 95.84% yield.

[References]

[1] Patent: CN103554064, 2016, B. Location in patent: Paragraph 0031; 0032; 0041; 0042
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[TSCA ]

No
[HS Code ]

29329990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

Oxetan-3-ol(7748-36-9)1HNMR
Oxetan-3-ol(7748-36-9)FT-IR
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