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ChemicalBook--->CAS DataBase List--->42602-67-5

42602-67-5

42602-67-5 Structure

42602-67-5 Structure
IdentificationBack Directory
[Name]

N-3-thienylacetamide
[CAS]

42602-67-5
[Synonyms]

N-3-thienylacetamide
3-ACETAMIDOTHIOPHENE
Acetamide, N-3-thienyl-
N-(Thiophen-3-yl)acetamide
[EINECS(EC#)]

255-907-6
[Molecular Formula]

C6H7NOS
[MDL Number]

MFCD00159570
[MOL File]

42602-67-5.mol
[Molecular Weight]

141.19
Chemical PropertiesBack Directory
[Melting point ]

147-148 °C
[Boiling point ]

325.0±15.0 °C(Predicted)
[density ]

1.260±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

Pale yellow flakes
[pka]

14.96±0.70(Predicted)
[Appearance]

Light green to green Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P304+P340
[HS Code ]

2934999090
Spectrum DetailBack Directory
[Spectrum Detail]

N-3-thienylacetamide(42602-67-5)1HNMR
N-3-thienylacetamide(42602-67-5)IR1
N-3-thienylacetamide(42602-67-5)IR2
Hazard InformationBack Directory
[Synthesis]

3-AMINOTHIOPHENE

17721-06-1

Acetic anhydride

108-24-7

N-3-thienylacetamide

42602-67-5

3-Aminothiophene (1.08 g, 10.9 mmol) was dissolved in ethanoic anhydride (20 mL) and the reaction was stirred for 3 hours at room temperature. After the reaction was completed, water (50 mL) was added and stirring was continued for 30 minutes. Subsequently, the pH was adjusted to >9 by slowly adding 4 M aqueous sodium hydroxide (150 mL). the reaction mixture was extracted with dichloromethane (3 x 100 mL). The organic phases were combined, washed with brine (30 mL), dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was crystallized by dichloromethane/petroleum ether mixed solvent to afford N-(3-thienyl)acetamide (994 mg, 65% yield) as a white crystalline solid. The structure of the product was confirmed by 1H-NMR (500 MHz, CDCl3) and 13C-NMR (125 MHz, CDCl3): 1H-NMR δ 2.17 (s, 3H, CH3), 7.00 (dd, J = 5.0, 1.3 Hz, 1H, Ar-H), 7.23 (dd, J = 5.0, 3.2 Hz, 1H, Ar-H) 7.45 (br, 1H, N-H), 7.55 (dd, J = 3.2, 1.3 Hz, 1H, Ar-H); 13C-NMR δ 18.64 (CH3), 105.03, 115.64, 119.26, 130.27 (Arom-C), 162.11 (C=O).

[References]

[1] Patent: US2009/247579, 2009, A1. Location in patent: Page/Page column 44
[2] Patent: WO2015/66371, 2015, A1. Location in patent: Paragraph 00478-00479
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