7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one | CAS No. 62458-96-2

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one

Basic Information

CAS Number

62458-96-2

Molecular Formula

C14H15N3O

Molecular Weight

241.29 g/mol

AD

Basic Physical Properties

Boiling Point

410.1℃ at 760 mmHg

Density

1.27

C1CN(CC2=C1C(=O)NC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)

InChIKey

NBOPLUXBZUJFHI-UHFFFAOYSA-N

LogP

1.3282

Topological Polar Surface Area

48.99 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

394

Synonyms & References

English

  • 7-benzyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
  • MFCD09030048
  • 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4 (3H)-one
  • AKOS023596301
  • FT-0645490
  • 7-Benzyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-4-one
  • SY006784
  • 7-benzyl-5,6,7,8-tetrahydro-pyrido[3.4-d]pyrimidin-4-ol
  • Z1626921209
  • FD7042
  • 62458-96-2
  • CS-D0339
  • AKOS015855722
  • 7-benzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
  • 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
  • 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
  • 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ol
  • 7-benzyl-5,6,7,8-tetrahydro-3h-pyrido[3,4-d]pyrimidin-4-one hydrochloride
  • GS-5833
  • BCP21555
  • 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE
  • 7-benzyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
  • DTXSID60487035
  • 7-Benzyl-4-hydroxy-5,6,7,8-tetrahydro-1,3,7-triazanaphthalene
  • NBOPLUXBZUJFHI-UHFFFAOYSA-N
  • PB43180
  • SCHEMBL1550311
  • 7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin4-one
  • J-519088
  • Pyrido[3,4-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-7-(phenylmethyl)-
  • A833782

MDL Number

MFCD09030048

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 62458-96-2)?

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 62458-96-2) is a crystalline solid with a molecular weight of approximately 262.27 g/mol. It has a solubility of about 20 mg/mL in water and is slightly soluble in common organic solvents. It is chemically reactive towards nucleophiles, particularly amines and thiols, and can be used as an intermediate in organic synthesis.

How is 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 62458-96-2) typically synthesized?

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one is often synthesized via a multi-step process involving the condensation of 2-benzylamino-4,5-dihydro-1H-pyridin-3-one with a suitable reagent. Common methods include using acetaldehyde in the presence of a base, followed by hydrolysis to form the final product. High yields and good selectivity are achieved under optimized conditions.

What industries use 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 62458-96-2)?

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 62458-96-2) is primarily used in pharmaceuticals for the synthesis of various drug candidates, particularly those targeting nucleic acid binding and DNA repair mechanisms. It is also used in polymer chemistry for the development of functional materials and in sensor technology for detecting specific biological molecules.

What precautions should be taken when handling 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 62458-96-2)?

When handling 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS: 62458-96-2), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to prevent inhalation. In the event of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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