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

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

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

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

structure
  • CAS No:

    18593-44-7

  • Formula:

    C8H8N2OS

  • Chemical Name:

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

  • Synonyms:

    OTAVA-BB BB0127460562;TIMTEC-BB SBB009541;5,6-DIMETHYL-3 H-THIENO[2,3-D ]PYRIMIDIN-4-ONE;5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE;AKOS MSC-0512;AKOS 91440;AKOS B020883;ART-CHEM-BB B020883

Description

Off-white to light yellow solid

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

180.23

180.03600

717525

DTXSID60328030

29335990

Characteristics

69.7

1.5

269-270℃ (ethanol )

428.3±45.0°C at 760 mmHg

Safety Information

22-20/21/22

3/7-36/37

Xn

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

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

General procedure: A mixture of 1a, b ( 1 mmol) and formamide( 5-6 mmol) in ( 1 mmol) acetic acid, was irradiationin the microwave oven for 10 min. at (300 W) 130 °C.The reaction mixture was cooled and poured intoiced-cold water, filtered, washed and recrystallized from ethanol. . 5, 6-Dimethyl-3H-thieno[2, 3-d]pyrimidin-4-one (4a) M.p. 180-183 °C; IR(cmGeneral procedure: A mixture of 1a, b ( 1 mmol) and formamide( 5-6 mmol) in ( 1 mmol) acetic acid, was irradiationin the microwave oven for 10 min. at (300 W) 130 °C.The reaction mixture was cooled and poured intoiced-cold water, filtered, washed and recrystallized from ethanol. 5, 6-Dimethyl-3H-thieno[2, 3-d]pyrimidin-4-one (4a) M.p. 180-183 °C; IR(cmTake 19.9g (0.1mol) 2- amino-4, 5-dimethyl-thiophene-3-carboxylate in 100ml of formamide, heated at reflux for 6 hours, monitored by TLC after completion of the reaction, the reaction solution was cooled to room temperature, was added 100ml of water, stirring was continued for 1 hour, and filtered to give 15.3 g of soil gray solid, 85percent yield, m.p. 274-275 .General procedure: The different ethyl 2-aminothiophene-3-carboxylate (5a-g) (1 eq.) and formamide (3.2mL/mmol eq.) were refluxed for 8 h. The reaction mixture was then cooled in an ice-bath and added of cold water. The precipitate formed was collected by filtration, washed thoroughly with cold water and purified by crystallisation from EtOH/H2O unless otherwise stated.

Computed Properties

Molecular Weight:180.23
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:180.03573406
Monoisotopic Mass:180.03573406
Topological Polar Surface Area:69.7
Heavy Atom Count:12
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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