2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one | CAS No. 878699-59-3

2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one

Basic Information

CAS Number

878699-59-3

Molecular Formula

C8H7ClN2OS

Molecular Weight

214.68 g/mol

AD

Basic Physical Properties

CC1=CC2=C(S1)N=C(NC2=O)CCl

InChI

InChI=1S/C8H7ClN2OS/c1-4-2-5-7(12)10-6(3-9)11-8(5)13-4/h2H,3H2,1H3,(H,10,11,12)

InChIKey

MXAYFCHUXRRPQJ-UHFFFAOYSA-N

LogP

2.0318199999999997

Topological Polar Surface Area

45.75 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

269

Synonyms & References

English

  • DTXSID70424618
  • MXAYFCHUXRRPQJ-UHFFFAOYSA-N
  • 878699-59-3
  • Z220564776
  • MFCD01850754
  • 2-(chloromethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
  • 2-(CHLOROMETHYL)-6-METHYLTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
  • FT-0754536
  • 2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
  • 2-Chloromethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
  • SCHEMBL70147
  • AKOS000742694
  • 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one(SALTDATA: FREE)

MDL Number

MFCD01850754

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one (CAS: 878699-59-3)?

2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one is a crystalline solid with a molecular weight of approximately 274.01 g/mol. It is slightly soluble in polar solvents like dimethyl sulfoxide (DMSO) and acetone. The compound exhibits good reactivity towards nucleophiles, particularly in the chloromethyl group, making it suitable for various chemical transformations.

How is 2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one (CAS: 878699-59-3) typically synthesized?

2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one can be synthesized via the condensation of 2-chloroacetyl chloride with 6-methylthieno[2,3-d]pyrimidin-4-one. The reaction is typically catalyzed by a Lewis acid such as aluminum chloride and proceeds with good yields (up to 90%). Selectivity towards the desired product is maintained, making this a reliable route for synthesis.

What industries use 2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one (CAS: 878699-59-3)?

2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one finds applications in the pharmaceutical and polymer industries. It is used as an intermediate in the synthesis of medicinal compounds and as a building block in the development of polymeric materials with specific properties such as conductivity and mechanical strength.

What precautions should be taken when handling 2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one (CAS: 878699-59-3)?

When handling 2-(Chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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