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CAS No.: | 14542-13-3 |
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Name: | 2-METHOXYTHIAZOLE |
Molecular Structure: | |
Formula: | C4H5NOS |
Molecular Weight: | 115.156 |
Synonyms: | 2-methoxy-1,3-thiazole; |
Density: | 1.197 g/cm3 |
Boiling Point: | 148.7 °C at 760 mmHg |
Flash Point: | 43.7 °C |
Appearance: | Pale yellow clear liquid |
Hazard Symbols: | R10:; |
Risk Codes: | 10 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 50.36000 |
LogP: | 1.15170 |
The 2-Methoxythiazole , with cas registry number of 14542-13-3, belongs to categories of Heterocyclic Compounds; Building Blocks; Thiazole; thiazole Flavor; Heterocyclic Building Blocks; Thiazoles . Its systematic name and IUPAC name are the same which is called 2-methoxy-1,3-thiazole . This chemical is Flammable.
Physical properties about this chemical are: (1) ACD/LogP: 1.21 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 1.2 ; (4) ACD/LogD (pH 7.4): 1.21 ; (5) ACD/BCF (pH 5.5): 4.81 ; (6) ACD/BCF (pH 7.4): 4.86 ; (7) ACD/KOC (pH 5.5): 106.8 ; (8) ACD/KOC (pH 7.4): 107.95 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 1 ; (12) Polar Surface Area: 50.36 Å2 ; (13) Index of Refraction: 1.523 ; (14) Molar Refractivity: 29.4 cm3 ; (15) Molar Volume: 96.1 cm3 ; (16) Surface Tension: 39.6 dyne/cm; (17) Density: 1.197 g/cm3 ; (18) Flash Point: 43.7 °C ; (19) Enthalpy of Vaporization: 36.97 kJ/mol ; (20) Boiling Point: 148.7 °C at 760 mmHg ; (21) Vapour Pressure: 5.29 mmHg at 25°C ; (22) Refractive index: n20/D 1.5150(lit.).
Uses of 2-Methoxythiazole : this compound can react with 5-benzyloxy-2-methoxybenzyl bromide to give 5-(5-benzyloxy-2-methoxy-benzyl)-2-methoxy-thiazole .
This reaction needs reagent Butyl-lithium , solvents of hexane and tetrahydrofuran . The reaction occurs at the of temperature -78 - -70 ℃. The yield is about 74%.
You can still convert the following datas into molecular structure:
(1) SMILES:O(c1nccs1)C;
(2) InChI:InChI=1/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3;
(3) InChIKey:MJJRDTKNLLMJDJ-UHFFFAOYAC