4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid | CAS No. 834903-43-4

4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid

Basic Information

CAS Number

834903-43-4

Molecular Formula

C25H19N3O4

Molecular Weight

425.44 g/mol

AD

Basic Physical Properties

Physical State

white to beige

Boiling Point

748.1±60.0 °C(Predicted)

Density

1.425±0.06 g/cm3(Predicted)

Solubility

DMSO: soluble1mg/mL, clear (warmed)

Cc1ccc(cc1)c2c3c([nH]n2)C(=O)N(C3c4cccc(c4)O)c5ccc(cc5)C(=O)O

InChI

InChI=1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)

InChIKey

VGUQVYZXABOXCX-UHFFFAOYSA-N

LogP

4.538720000000003

pKa

4.27±0.10(Predicted)

Topological Polar Surface Area

106.52 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

  • 4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
  • CID16020046 (CID 16020046)
  • Benzoic acid, 4-[4,6-dihydro-4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]-
  • CID 16020046
  • 4-[4,6-Dihydro-4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]-benzoic acid
  • CS-1189
  • CID16020046
  • C390-0219

MDL Number

MFCD06196075

FAQ

What are the physical and chemical properties of 4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid (CAS: 834903-43-4)?

4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid has a crystalline form with a molecular weight of approximately 566.48 g/mol. It is slightly soluble in water and more soluble in organic solvents. This compound shows moderate reactivity, particularly in acidic and basic conditions. It can undergo esterification and other organic transformations under specific conditions.

How is 4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid (CAS: 834903-43-4) typically synthesized?

4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid can be synthesized through multi-step processes involving the condensation of 3-hydroxybenzoic acid with 4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carbaldehyde. The synthesis typically requires appropriate solvents and catalysts, and the selectivity and yield can be optimized by careful control of reaction conditions.

What industries use 4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid (CAS: 834903-43-4)?

4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid is primarily used in the pharmaceutical industry for its potential as an active pharmaceutical ingredient (API). It may also find applications in the polymer industry for its chemical properties, and in the development of sensors and semiconductors, although its use in these sectors is more specialized.

What precautions should be taken when handling 4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid (CAS: 834903-43-4)?

When handling 4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Ensure proper ventilation and use a fume hood during handling. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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