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18593-44-7

18593-44-7 Structure

18593-44-7 Structure
IdentificationBack Directory
[Name]

5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
[CAS]

18593-44-7
[Synonyms]

ST 059935
AKOS 91440
18593-44-7
AKOS B020883
AURORA 20179
AKOS MSC-0512
BUTTPARK 37\11-55
ART-CHEM-BB B020883
TIMTEC-BB SBB009541
OTAVA-BB BB0127460562
5,6-Dimethylthieno[2,3-d]pyrimidin-4-ol
5,6-dimethyl-3H-thieno[3,2-e]pyrimidin-4-one
5,6-Dimethyl-1H-thieno[2,3-d]pyrimidin-4-one
5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
4-Hydroxy-5,6-dimethylthieno[2,3-d]pyrimidine
5,6-DIMETHYL-3 H-THIENO[2,3-D ]PYRIMIDIN-4-ONE
Thieno[2,3-d]pyrimidin-4(1H)-one, 5,6-dimethyl-
5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one(SALTDATA: FREE)
5,6-DiMethylthieno[2,3-d]pyriMidin-4(3H)-one
[Molecular Formula]

C8H8N2OS
[MDL Number]

MFCD00463622
[MOL File]

18593-44-7.mol
[Molecular Weight]

180.23
Chemical PropertiesBack Directory
[Melting point ]

269-270℃ (ethanol )
[storage temp. ]

2-8°C(protect from light)
[form ]

solid
[Appearance]

Yellow to brown Solid
[InChI]

1S/C8H8N2OS/c1-4-5(2)12-8-6(4)7(11)9-3-10-8/h3H,1-2H3,(H,9,10,11)
[InChIKey]

QAFMGDDXMIKGEY-UHFFFAOYSA-N
[SMILES]

[s]1c2nc[nH][c](c2c(c1C)C)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H302
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xn
[Risk Statements ]

22-20/21/22
[Safety Statements ]

3/7-36/37
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N,N-Dimethylformamide-->Triethylamine-->Sulfur-->Ethyl cyanoacetate-->2-Butanone-->Formamide-->2-Amino-4,5-dimethylthiophene-3-carboxamide-->2-Amino-4,5-dimethylthiophene-3-carboxylic acid-->formamide-->Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
[Preparation Products]

5,6-Dimethylthieno[2,3-d]pyrimidine-4(3H)-thione
Hazard InformationBack Directory
[Chemical Properties]

Off-white to light yellow solid
[Synthesis]

2-AMINO-4,5-DIMETHYLTHIOPHENE-3-CARBOXAMIDE

51486-04-5

formamide

77287-34-4

5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

18593-44-7

GENERAL METHODS: A mixture of 2-amino-4,5-dimethylthiophene-3-carboxamide (1 mmol) and compound (CAS:77287-34-4) (1 mmol) with formamide (5-6 mmol) in acetic acid (1 mmol) was placed in a microwave reactor and irradiated for 10 min at 130 °C under 300 W power. After completion of the reaction, the reaction mixture was cooled to room temperature and subsequently poured into cold water. The precipitate was collected by filtration, washed with water and finally recrystallized from ethanol to obtain the pure product. The product 5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (4a) had a melting point of 180-183 °C; IR (cm^-1 ): 3320 (NH), 1670 (C=O); 1H-NMR (DMSO-d6) δ: 1.7 (s, 3H, CH3), 2.0 (s, 3H, CH3), 7.80 (s, 1H Pyrimidine-H), 10.00 (br.s, 1H, NH); MS: m/z 180 [M+] (95) (C8H8N2OS); Elemental analysis of calculated values (%): C: 53.33, H: 4.44, N: 15.55; measured values (%): C: 53.45, H: 4.30, N: 15.56.

[References]

[1] Oriental Journal of Chemistry, 2014, vol. 30, # 2, p. 469 - 477
Spectrum DetailBack Directory
[Spectrum Detail]

5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE(18593-44-7)1HNMR
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