4-Methoxybenzohydrazide - ≥98% , CAS No.3290-99-1

CAS: 3290-99-1 Cat. No.: M158283 Molecular Weight: 166.18 Beilstein Registry Number: 10(4)454 EC Number: 221-952-5

GRADE & PURITY ≥98%

Synonyms

4-Methoxybenzoic hydrazide | Oprea1_578754 | Benzoic acid, 4-methoxy-, hydrazide | p-Anisic acid hydrazide | Q27256258 | Oprea1_834050 | p-methoxybenzhydrazide | 2-Thienyl phenyl ketone | SCHEMBL407188 | 4-Methoxybenzohydrazide # | 4-Methoxybenzoyl hydraz

Storage

Room temperature

Shipped In

Normal

Overview

Usually used to synthesize N′-[(E)-5-bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate,2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole,hydrazone ligands, which readily forms ruthenium(II) hydrazone complexes via reaction with [RuHCl(CO)(PPh3)3].

Specifications

Synonyms

4-Methoxybenzoic hydrazide | Oprea1_578754 | Benzoic acid, 4-methoxy-, hydrazide | p-Anisic acid hydrazide | Q27256258 | Oprea1_834050 | p-methoxybenzhydrazide | 2-Thienyl phenyl ketone | SCHEMBL407188 | 4-Methoxybenzohydrazide # | 4-Methoxybenzoyl hydraz

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185332
• Canonical Smiles: COC1=CC=C(C=C1)C(=O)NN
• IUPAC Name: 4-methoxybenzohydrazide
• InChIKey: REKQLYUAUXYJSZ-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
• Isomeric SMILES: COC1=CC=C(C=C1)C(=O)NN
• WGK Germany: 3
• RTECS: BZ4800000
• Molecular Weight: 166.18
• Beilstein: 10(4)454
• Reaxy-Rn: 389017
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389017&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CTSB Tchem Cathepsin B (3822 Activities)

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CTSH Tchem Cathepsin H (179 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

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Plasmodium falciparum (966862 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 138 °C
• Molecular Weight: 166.180 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1