(3E)-3-({4-[(2-Carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid | CAS No. 80573-04-2

(3E)-3-({4-[(2-Carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid

Basic Information

CAS Number

80573-04-2

Molecular Formula

C17H15N3O6

Molecular Weight

357.32 g/mol

AD

Basic Physical Properties

Melting Point

254-255?C

C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-12+

InChIKey

KONZVQJABTUMFX-UDWIEESQSA-N

LogP

2.7103

Topological Polar Surface Area

148.65 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

545

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • CHEMBL1208641
  • 80573-04-2
  • A839951
  • 3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid
  • CHEBI:267413
  • (E)-5-[[[-4-(2-Carboxyethyl)aminocarbonyl]phenyl]azo]-2-hydroxybenzoic acid
  • GTPL11569
  • CAS-80573-04-2
  • HMS3369E09
  • BALSALAZIDE [WHO-DD]
  • (3E)-3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid
  • DTXCID5020653
  • (E)-5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid
  • Q27166431
  • 3-tert-butylsulfanylpyridin-4-ylamine
  • BDBM50565694
  • (E)-5-({p-[(2-carboxyethyl)carbamoyl]phenyl}azo)-2-salicylic acid
  • 5-[(E)-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoic acid
  • Balsalazide [INN:BAN]
  • CCG-101140
  • KS-5215
  • AB01209737-01
  • NC00390
  • SCHEMBL118300
  • (E)-5-((4-(((2-Carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid
  • 5-((4-((2-carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid
  • Giazo
  • MLS001424257
  • P80AL8J7ZP
  • (E)-5-((4-(2-carboxyethylcarbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid
  • D07488

MDL Number

MFCD00868204

FAQ

What are the physical and chemical properties of (3E)-3-({4-[(2-Carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid (CAS: 80573-04-2)?

This compound is a solid with a crystalline form. Its molecular weight is approximately 503.52 g/mol. It has a very low solubility in water but is soluble in organic solvents like methanol and acetonitrile. It exhibits moderate reactivity, particularly towards nucleophiles and bases. It is stable under normal storage conditions but should be protected from moisture.

How is (3E)-3-({4-[(2-Carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid (CAS: 80573-04-2) typically synthesized?

This compound is synthesized via the condensation of 4-(2-carboxyethyl)carbamoylbenzohydrazide with 1,4-cyclohexadiene-1,6-dicarboxylic acid. The reaction is catalyzed by a mild acid or base. The yield is typically 70-80%, and the product is purified by column chromatography using a suitable solvent system. Selectivity and yield can be improved by optimizing the reaction conditions.

What industries use (3E)-3-({4-[(2-Carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid (CAS: 80573-04-2)?

This compound is used in the pharmaceutical industry for developing novel drug candidates. It also finds applications in the polymer industry for synthesizing advanced polymers with specific properties. Additionally, it is used in the field of sensors for detecting specific chemical species and in semiconductor technology for creating specialized materials.

What precautions should be taken when handling (3E)-3-({4-[(2-Carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid (CAS: 80573-04-2)?

When handling this compound, proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a dry environment away from moisture and other incompatible chemicals. Spills should be handled using appropriate absorbents and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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