4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid | CAS No. 52034-38-5

4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

Basic Information

CAS Number

52034-38-5

Molecular Formula

C14H13NO3

Molecular Weight

243.26 g/mol

AD

Basic Physical Properties

Melting Point

259-261°C

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=O

InChI

InChI=1S/C14H13NO3/c1-9-7-12(8-16)10(2)15(9)13-5-3-11(4-6-13)14(17)18/h3-8H,1-2H3,(H,17,18)

InChIKey

GPYVXQQXXCPCGK-UHFFFAOYSA-N

LogP

2.6048400000000003

Topological Polar Surface Area

59.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

323

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • CHEMBL3593488
  • 9P-735
  • AKOS000113176
  • FT-0640043
  • 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid
  • 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid, AldrichCPR
  • SCHEMBL7825875
  • SB63013
  • BP-11285
  • CS-0118054
  • 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoicacid
  • NSC-242028
  • EN300-144326
  • SR-01000317576-1
  • NSC242028
  • SR-01000317576
  • Oprea1_875729
  • 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acid
  • Oprea1_167602
  • Z57627076
  • J-513386
  • 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-benzenecarboxylic acid
  • A871092
  • NSC 242028
  • DTXSID00311385
  • 52034-38-5
  • 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
  • MFCD00022463
  • 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
  • Benzoic acid,4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-
  • 4-(3-formyl-2,5-dimethylpyrrolyl)benzoic acid

MDL Number

MFCD00022463

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS: 52034-38-5)?

4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is a crystalline solid with a molecular weight of approximately 284.32 g/mol. It has a high solubility in organic solvents like methanol and ethyl acetate, and low solubility in water. The compound is moderately reactive, showing good electrophilic character due to the presence of the formyl and carboxylic acid groups. It can form hydrogen bonds and other intermolecular interactions, contributing to its crystalline nature.

How is 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS: 52034-38-5) typically synthesized?

4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is synthesized by a multi-step process involving the condensation of 2,5-dimethylpyrrole with a benzaldehyde derivative followed by acylation and formylation. The reaction typically uses a catalytic amount of a suitable acid or base, with overall high yield and good selectivity. Common solvents include acetone and dichloromethane.

What industries use 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS: 52034-38-5)?

4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It also finds applications in the polymer industry for enhancing the properties of certain polymer formulations. Additionally, it is utilized in the development of sensors and semiconductors, where its unique chemical properties contribute to its effectiveness.

What precautions should be taken when handling 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS: 52034-38-5)?

When handling 4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, it is important to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure proper ventilation and avoid inhalation or skin contact. Store the compound in a fume hood and maintain a well-ventilated area. In case of a spill, neutralize the acid with a base and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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