ChemicalBook--->CAS DataBase List--->43088-67-1

43088-67-1

43088-67-1 Structure

43088-67-1 Structure
IdentificationBack Directory
[Name]

4-CHLORO-5-METHYLTHIENO[2,3-D]PYRIMIDINE
[CAS]

43088-67-1
[Synonyms]

BUTTPARK 46\18-75
4-Chloro-5-Methylthieno[2...
4-CHLORO-5-METHYLTHIENO[2,3-D]PYRIMIDINE
Thieno[2,3-d]pyrimidine, 4-chloro-5-methyl-
4-Chloro-5-methylthieno[2,3-d]pyrimidine ,97%
4-CHLORO-5-METHYLTHIENO[2,3-D]PYRIMIDINE ISO 9001:2015 REACH
[Molecular Formula]

C7H5ClN2S
[MDL Number]

MFCD00205201
[MOL File]

43088-67-1.mol
[Molecular Weight]

184.65
Chemical PropertiesBack Directory
[Melting point ]

137 °C
[Boiling point ]

301.3±37.0 °C(Predicted)
[density ]

1.445±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

0.71±0.40(Predicted)
[Appearance]

light pink solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Risk Statements ]

36/37/38
[Safety Statements ]

22-36/37/39
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Acetic acid-->Phosphorus oxitrichloride-->Sulfur-->Ethyl cyanoacetate-->Phosphorus pentachloride-->Diethylamine-->Morpholine-->Formamide-->tert-Butyl acetoacetate
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLORO-5-METHYLTHIENO[2,3-D]PYRIMIDINE(43088-67-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-METHYLTHIENO(2,3-D)PYRIMIDIN-4(5H)-ONE

43088-64-8

4-CHLORO-5-METHYLTHIENO[2,3-D]PYRIMIDINE

43088-67-1

Step 2. Preparation of 4-chloro-5-methylthieno[2,3-d]pyrimidine: 5-methylthieno[2,3-d]pyrimidin-4(3H)-one (1.4 g, 8.42 mmol) prepared in Step 1 was dissolved in phosphorochloridic acid (5 mL). Subsequently, the reaction mixture was stirred at 110°C for 1 hour. Upon completion of the reaction, the reaction mixture was slowly poured into a mixture of ice water and chloroform and washed sequentially with water and saturated aqueous sodium bicarbonate. The organic layers were combined and concentrated under reduced pressure. The residue was purified by recrystallization (hexane/ethyl acetate mixed solvent) to give 590 mg (yield: 39%) of the target product 4-chloro-5-methylthieno[2,3-d]pyrimidine as a yellow solid.1H NMR (400 MHz, CDCl3): δ 8.81 (s, 1H), 7.24 (s, 1H), 2.70 (s, 3H).

[References]

[1] Patent: WO2007/102679, 2007, A1. Location in patent: Page/Page column 49
[2] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 6, p. 1525 - 1528
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