5-[5-(Chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | CAS No. 1058653-74-9

5-[5-(Chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

Basic Information

CAS Number

1058653-74-9

Molecular Formula

C19H21ClN4O3

Molecular Weight

388.86 g/mol

AD

Basic Physical Properties

Melting Point

193 ºC (benzene )

CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)C(=O)CCl)C

InChI

InChI=1S/C19H21ClN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9H,4-6,10H2,1-3H3,(H,21,22,26)

InChIKey

UOJGGFDIPKRVTP-UHFFFAOYSA-N

LogP

3.096300000000002

Topological Polar Surface Area

89.87 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Synonyms & References

English

  • 5-(5-(2-Chloroacetyl)-2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
  • Chlorodenafil
  • 5-[5-(2-Chloroacetyl)-2-ethoxyphenyl]-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one
  • 5-[5-(2-chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
  • Sildenafil Impurity 5
  • 5-(5-(2-chloroacetyl)-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

MDL Number

MFCD21363818

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-[5-(Chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CAS: 1058653-74-9)?

The compound has a crystalline form with a molecular weight of approximately 451.26 g/mol. It is slightly soluble in water and more soluble in organic solvents such as methanol and acetonitrile. The compound is moderately reactive, particularly towards hydrolysis and nucleophilic substitution reactions.

How is 5-[5-(Chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CAS: 1058653-74-9) typically synthesized?

The compound is synthesized through a multi-step process involving the reaction of 2-ethoxyphenyl chloroacetate with 1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7-one. The synthesis involves the use of a base such as sodium hydride and proceeds with moderate yield (around 70-75%).

What industries use 5-[5-(Chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CAS: 1058653-74-9)?

The compound is used in the pharmaceutical industry for its potential therapeutic applications. It may also have applications in the polymer industry for its possible use as a cross-linking agent or in the development of smart materials.

What precautions should be taken when handling 5-[5-(Chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CAS: 1058653-74-9)?

When handling the compound, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood. In case of spill, it should be carefully cleaned up using appropriate absorbent materials and disposed of according to local regulations. An SDS (Safety Data Sheet) should be consulted for detailed handling and disposal instructions.

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