2-Methyl-2-propanyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate | CAS No. 1056934-87-2

2-Methyl-2-propanyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

Basic Information

CAS Number

1056934-87-2

Molecular Formula

C12H16ClN3O2

Molecular Weight

269.73 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CCc2ncnc(Cl)c2C1

InChI

InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-9-8(6-16)10(13)15-7-14-9/h7H,4-6H2,1-3H3

InChIKey

YSSUXXNMVJXCBS-UHFFFAOYSA-N

LogP

2.4232000000000005

Topological Polar Surface Area

55.32 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

319

Synonyms & References

English

  • tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
  • 6-Boc-4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidine
  • tert-Butyl 4-chloro-7,8-dihydropyrido-[4,3-d]pyrimidine-6(5H)-carboxylate
  • 6-BOC-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE
  • AG-L-59269
  • ANW-46641
  • CTK7G2915
  • MolPort-020-014-353
  • PB32592
  • PubChem17794
  • 6-Boc-4-dichloro-5,6,7,8-...
  • TERT-BUTYL 4-CHLORO-7,8-DIHYDROPYRIDO
  • tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)
  • tert-butyl 4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
  • tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyriMidin-6(5H)-carboxylate
  • tert-butyl 4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
  • 4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid 1,1-dimethylethyl ester
  • C12H16ClN3O2
  • YSSUXXNMVJXCBS-UHFFFAOYSA-N
  • BCP14581

MDL Number

MFCD08273922

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate (CAS: 1056934-87-2)?

The compound has a crystalline form with a molecular weight of approximately 280.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like DMSO and acetonitrile. This compound is reactive and can undergo various transformations, including hydrolysis and amidation, which are typical for carboxylate derivatives.

How is 2-Methyl-2-propanyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate (CAS: 1056934-87-2) typically synthesized?

This compound can be synthesized via a multi-step process that starts with the protection of the primary amine, followed by a ring closure to form the pyridopyrimidine core, and then deprotection to yield the final carboxylate. Commonly used catalysts include benzotriazol-1-yloxy-tripyrrolidine-phosphonium hexafluorophosphate (BOP) and 1-hydroxybenzotriazole (HOBt). The reaction typically yields a mixture that requires purification.

What industries use 2-Methyl-2-propanyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate (CAS: 1056934-87-2)?

This compound is primarily used in pharmaceutical research for its potential as a drug lead. It may also have applications in the development of new materials, such as in the synthesis of polymers and sensors. Its use in semiconductors and electronic devices is still under investigation and could be promising.

What precautions should be taken when handling 2-Methyl-2-proanyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate (CAS: 1056934-87-2)?

Handling this compound requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that operations are conducted in a well-ventilated hood to minimize exposure. Spills should be handled by carefully collecting the material and disposing of it according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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