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16233-51-5

1,3-Dihydrothiopheno[3,2-d]pyrimidine-2,4-dione

CAS: 16233-51-5

Molecular Formula: C6H4N2O2S

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16233-51-5 - Names and Identifiers

Name 1,3-Dihydrothiopheno[3,2-d]pyrimidine-2,4-dione
Synonyms 102776
hieno[3,2-d]pyrimidine-2,4-diol
thieno[3,2-d]pyrimidine-2,4-diol
Thieno[3,2-d]pyrimidine-2,4-diol
2,4-Dihydroxythieno[3,2-d]pyrimidine
1H-Thieno[3,2-d]pyrimidine-2,4-dione
1H-Thieno[3,2-d][1,3]oxazine-2,4-dione
Thieno[3,2-d]pyrimidine2,4(1H,3H)-dione
1,3-Dihydrothiopheno[3,2-d]pyrimidine-2,4-dione
CAS 16233-51-5
InChI InChI=1/C6H2Cl2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H

16233-51-5 - Physico-chemical Properties

Molecular FormulaC6H4N2O2S
Molar Mass168.17
Density1.517±0.06 g/cm3(Predicted)
Melting Point>300 °C
Boling Point274.804°C at 760 mmHg
Flash Point119.997°C
Vapor Presure0.009mmHg at 25°C
pKa10.40±0.20(Predicted)
Storage ConditionKeep in dark place,Inert atmosphere,Room temperature
Refractive Index1.715
MDLMFCD09909655

16233-51-5 - Risk and Safety

Risk Codes20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety DescriptionS24/25 - Avoid contact with skin and eyes.
S36/37 - Wear suitable protective clothing and gloves.
HS Code29335990

16233-51-5 - Reference Information

application 1, 3-dihydrothiophene [3,2-D] pyrimidine -2, 4-dione is a pharmaceutical intermediate, which can be prepared by the reaction of methyl 3-aminothiophene-2-formate in urea. There are reports that it can be used to prepare PI3K inhibitors.
preparation at room temperature, 47.0g(0.64mol) of urea is added to 250mL of eggplant bottle, and the temperature is raised to 140 ℃ to make urea in molten state, 20.0g(0.13mol) of methyl 3-aminothiophene-2-formate (a) was added in two batches under stirring, and then the temperature was raised to 190 ℃ for 2.5h. Cool the reaction solution to 120 ℃, add the reaction solution to 200mL of 20% sodium hydroxide aqueous solution while hot, stir until most of the solid is dissolved, filter by suction, filter out insoluble matter, adjust pH to 3 with 2M hydrochloric acid, filter by suction, and dry to obtain 18.5g of light yellow solid 1, 3-dihydrothiophene [3,2-D] pyrimidine -2, 4-dione with 86.4% yield.
Last Update：2024-04-10 22:29:15
16233-51-5
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