2-METHOXYTHIAZOLE
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2-METHOXYTHIAZOLE
structure -
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CAS No:
14542-13-3
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Formula:
C4H5NOS
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Chemical Name:
2-METHOXYTHIAZOLE
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Synonyms:
2-METHOXY-1,3-THIAZOLE;2-METHOXYTHIAZOLE;2-Methoxylthiazole;Thiazole, 2-methoxy-
- Categories:
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CAS No:
Characteristics
50.4
1.3
Pale yellow clear liquid
1.2
150-151 °C(lit.)
>121 °F
n 20/D 1.5150(lit.)
5.29mmHg at 25°C
Safety Information
III
3
UN 1993 3/PG 3
3
10
26-36/37/39
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
UN 1993
|Warning|H226 (97.78%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory.
2-METHOXYTHIAZOLE Use and Manufacturing
To a stirred solution of compound 606-13a (20.0 g, 174 mmol) in anhydrous THF (700 mL) was added n-BuLi (2.5 M solution in hexanes, 70 mL, 175 mmol) dropwise over 20 min at -78 C (dry ice/acetone bath) under nitrogen. The resulting reaction mixture was stirred at -78 C under N2 for 2 h. After this time, I2 (44.2 g, 174 mmol) was added. The resulting mixture was slowly warmed to rt over 2 h and stirred at rt for 1 h. The reaction mixture was then cooled to 0 C and quenched by slow addition of saturated NH4Cl aqueous solution (300 mL). The resulting mixture was warmed to rt and extracted with EtOAc (500 mL). The extract was washed with 20% Na2S203 aqueous solution (300 mL) and brine (300 mL), dried over anhydrous Na2S04, filtered, and concentrated under reduced pressure (The product is volatile; evaporator bath temperature chromatography on silica gel eluting with 5% EtO Ac/hexanes (The product is volatile; evaporator bath temperature
Used as food flavor
Computed Properties
Molecular Weight:115.16
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:115.00918496
Monoisotopic Mass:115.00918496
Topological Polar Surface Area:50.4
Heavy Atom Count:7
Complexity:59.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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