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| CAS No.: | 101708-09-2 |
|---|---|
| Name: | 5-(Hydroxyacetyl)-4-methyloxazole |
| Molecular Structure: | |
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| Formula: | C6H7NO3 |
| Molecular Weight: | 141.12 |
| Synonyms: | 2-Hydroxy-1-(4-methyl-1,3-oxazol-5-yl)ethanone; |
| Density: | 1.274 g/cm3 |
| Boiling Point: | 259.654 °C at 760 mmHg |
| Flash Point: | 110.835 °C |
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Specification
The 5-(Hydroxyacetyl)-4-methyloxazole has CAS registry number 101708-09-2. This chemical's molecular formula is C6H7NO3 and molecular weight is 141.12. What's more, its systematic name is 2-Hydroxy-1-(4-methyl-1, 3-oxazol-5-yl)ethanone.
Physical properties about 5-(Hydroxyacetyl)-4-methyloxazole are: (1)ACD/LogP: -2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.33 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 33.032 cm3; (15)Molar Volume: 110.763 cm3; (16)Polarizability: 13.095×10-24 cm3; (17)Surface Tension: 50.287 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 110.835 °C; (20)Enthalpy of Vaporization: 52.542 kJ/mol; (21)Boiling Point: 259.654 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25 °C.
Preparation of 5-(Hydroxyacetyl)-4-methyloxazole: this chemical is prepared by 5-Diazoacetyl-4-methyloxazole. The reaction needs reagent 0.5 N aq. H2SO4. The reaction time is 3 hours. The yield is about 55 %.
-4-methyloxazole.jpg)
Uses of 5-(Hydroxyacetyl)-4-methyloxazole: it is used to produce other chemicals. For example, it is used to produce 4-Methyl-5-[(tetrahydropyran-2-yloxy)acetyl]oxazole. The reaction needs reagent Pyridinium toluene-p-sulphonate and solvent CHCl3. The reaction time is 3 hours. The yield is about 78 %.
![5-(Hydroxyacetyl)-4-methyloxazole can react with 3, 4-Dihydro-2H-pyran to get 4-Methyl-5-[(tetrahydropyran-2-yloxy)acetyl]oxazole.](/UserFilesUpload/Uses of 5-(Hydroxyacetyl)-4-methyloxazole.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(ocn1)C(=O)CO
(2) InChI: InChI=1/C6H7NO3/c1-4-6(5(9)2-8)10-3-7-4/h3,8H,2H2,1H3
(3) InChIKey: YSRBRCWHLNBNSK-UHFFFAOYAX