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108831-66-9

108831-66-9 Structure

108831-66-9 Structure
IdentificationBack Directory
[Name]

BUTTPARK 146\18-29
[CAS]

108831-66-9
[Synonyms]

BUTTPARK 146\18-29
6-Methylthieno[2,3-d]Pyrimid-4-One
6-METHYLTHIENO[2,3-D]PYRIMIDIN-4-OL
BUTTPARK 146\18-29 ISO 9001:2015 REACH
6-Methyl-1H-thieno[2,3-d]pyrimidin-4-one
6-Methylthieno[2,3-d]pyrimidin-4(3H)-one
6-methyl-3H-thieno[3,2-e]pyrimidin-4-one
3-Phenyl-4,5-dihydro-[1,2,4]oxadiazol-5-ol
6-Methyl-3H,4H-thieno[2,3-d]pyriMidin-4-one
Thieno[2,3-d]pyrimidin-4(1H)-one, 6-methyl-
[Molecular Formula]

C7H6N2OS
[MDL Number]

MFCD01570294
[MOL File]

108831-66-9.mol
[Molecular Weight]

166.2
Chemical PropertiesBack Directory
[Melting point ]

195-200℃ (ethanol )
[Boiling point ]

406.7±33.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[pka]

11.56±0.20(Predicted)
[Appearance]

Off-white to light brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Risk Statements ]

20/21/22
[Safety Statements ]

3/7-36/37
[HS Code ]

29335990
Hazard InformationBack Directory
[Chemical Properties]

Yellow solid
[Synthesis]

2-AMINO-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

4815-32-1

formamide

77287-34-4

BUTTPARK 146\18-29

108831-66-9

General procedure for the synthesis of 6-methyl-3H-thieno[2,3-d]pyrimidin-4-one from ethyl 2-amino-5-methylthiophene-3-carboxylate (2.3 g, 12.0 mmol) and formamide (28 mL): a suspension of ethyl 2-amino-5-methylthiophene-3-carboxylate and formamide was heated and reacted for 16 hours at 180 °C. Upon completion of the reaction, the reaction mixture was quenched with 100 mL of water and stirring was continued for 30 minutes. The precipitated solid was collected by filtration, washed with pentane and dried by filtration to give 6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (1.0 g, crude) as an off-white solid. Results of mass spectrometry analysis: calculated value (M + H): 167.02; measured value (M + H): 167.1.

[References]

[1] Pharmaceutical Chemistry Journal, 1987, vol. 21, # 2, p. 126 - 129
[2] Khimiko-Farmatsevticheskii Zhurnal, 1987, vol. 21, # 2, p. 197 - 200
[3] European Journal of Medicinal Chemistry, 2011, vol. 46, # 3, p. 870 - 876
[4] European Journal of Medicinal Chemistry, 2016, vol. 115, p. 148 - 160
[5] Patent: WO2017/100599, 2017, A1. Location in patent: Paragraph 00125-00126
Spectrum DetailBack Directory
[Spectrum Detail]

BUTTPARK 146\18-29(108831-66-9)1HNMR
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