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Ethyl 2-(thiazol-2-yl)acetate

Ethyl 2-(thiazol-2-yl)acetate structure

Ethyl 2-(thiazol-2-yl)acetate 

structure
  • CAS No:

    141704-11-2

  • Formula:

    C7H9NO2S

  • Chemical Name:

    Ethyl 2-(thiazol-2-yl)acetate

  • Synonyms:

    Ethyl 2-(thiazol-2-yl)acetate;ethyl 2-(1,3-thiazol-2-yl)acetate;Ethyl 2-(2-Thiazolyl)acetate;Ethyl 2-(thiazol-2-yl)

Ethyl 2-(thiazol-2-yl)acetate Basic Attributes

171.21686

171.035400

DTXSID90618638

2934100090

Characteristics

67.4

1.1

1.210±0.06 g/cm3(Predicted)

120-122 °C(Press: 15 Torr)

99.3±22.6 °C

1.525

Ethyl 2-(thiazol-2-yl)acetate Use and Manufacturing

A solution of the product of Example 44B (2.8 g, 11.5 mmoles), sodium chloride (1.3 g, 22.9 mmoles) and water (0.4 ml, 22.9 mmoles) in dimethyl sulfoxide (48.0 ml) was stirred at about 180 C. for about 30 min. The mixture was cooled, diluted with water (100.0 ml) and was extracted twice with (1:1) ethyl acetate/diethyl ether (80.0 ml each). The combined organic extracts were washed with brine, dried over MgSO4, filtered and concentrated in vacuum. The crude product was purified by flash column chromatography on silica gel using hexanes/ethyl acetate (2:1) as the mobile phase to provide the title compound.

Computed Properties

Molecular Weight:171.22
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:171.03539970
Monoisotopic Mass:171.03539970
Topological Polar Surface Area:67.4
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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