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| CAS No.: | 85665-60-7 |
|---|---|
| Name: | 3-(1,1-dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H15NO3 |
| Molecular Weight: | 173.212 |
| Synonyms: | 3-tert-Butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one; |
| EINECS: | 288-150-5 |
| Density: | 1.139 g/cm3 |
| Boiling Point: | 343.336 °C at 760 mmHg |
| Flash Point: | 161.444 °C |
| PSA: | 49.77000 |
| LogP: | 0.53590 |
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- Total:3 Page 1 of 1 1
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Specification
The 2-Oxazolidinone,3-(1,1-dimethylethyl)-5-(hydroxymethyl)-, with the CAS registry number 85665-60-7, is also known as 5-(Hydroxymethyl)-3-(2-methyl-2-propanyl)-1,3-oxazolidin-2-one. Its EINECS registry number is 288-150-5. This chemical's molecular formula is C8H15NO3 and molecular weight is 173.21. What's more, its IUPAC name is called 3-tert-Butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
Physical properties about 2-Oxazolidinone,3-(1,1-dimethylethyl)-5-(hydroxymethyl)- are: (1)ACD/LogP: 0.487; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1.38; (7)ACD/KOC (pH 5.5): 43.87; (8) ACD/KOC (pH 7.4): 43.87; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.484 ; (14)Molar Refractivity: 43.561 cm3; (15)Molar Volume: 152.136 cm3; (16)Polarizability: 17.269×10-24cm3; (17)Surface Tension: 40.55 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 161.444 °C; (20)Enthalpy of Vaporization: 68.01 kJ/mol; (21)Boiling Point: 343.336 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 2-Oxazolidinone,3-(1,1-dimethylethyl)-5-(hydroxymethyl)-: this chemical can be prepared by carbon dioxide with tert-butyl-oxiranylmethyl-amine. This reaction needs solvent methanol at ambient temperature. The reaction time is 7 hours. The yield is 51 %.
-5-(hydroxymethyl)-.jpg)
Uses of 2-Oxazolidinone,3-(1,1-dimethylethyl)-5-(hydroxymethyl)-: it is used to produce other chemicals. For example, it can produce (R)-(-)-5-[(propionyloxy)methyl]-3-tert-butyloxazolidin-2-one and (S)-(+)-5-(hydroxymethyl)-3-tert-butyloxazolidin-2-one. The yield is 45 %.
![2-Oxazolidinone,3-(1,1-dimethylethyl)-5-(hydroxymethyl)- can produce (R)-(-)-5-[(propionyloxy)methyl]-3-tert-butyloxazolidin-2-one and (S)-(+)-5-(hydroxymethyl)-3-tert-butyloxazolidin-2-one.](/UserFilesUpload/Uses of 2-Oxazolidinone,3-(1,1-dimethylethyl)-5-(hydroxymethyl)-.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(CO)CN1C(C)(C)C
(2) InChI: InChI=1S/C8H15NO3/c1-8(2,3)9-4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3
(3) InChIKey: SSMIUHOOMMVZNL-UHFFFAOYSA-N