2-Amino-3-formylchromone - ≥98%(HPLC)(N) , CAS No.61424-76-8

CAS: 61424-76-8 Cat. No.: A151111 Peso molecular: 189.17 Número EC: 624-966-3

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

HMS2533J17 | DTXSID50352884 | SMR000253368 | FT-0640753 | BP-12686 | MFCD00191735 | 2-Amino-3-formylchromone, 97% | 2-Amino-3-formylchromone | STK505090 | 2-Amino-4-oxo-4H-1-benzopyran-3-carboxaldehyde | MLS000335614 | BB 0260647 | EN300-09152 | A833215 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Description

2-Amino-3-formylchromone (2-Amino-4-oxo-4H-1-benzopyran-3-carboxaldehyde) is a benzopyran derivative. It is a bicyclic heterocyclic molecule made up of a benzene ring fused to a heterocyclic pyran ring. It undergoes condensation with (R)-2-amino-2-phenylethanol to afford Schiff base ligand, which forms complexes with Cu(NO3)2 and Zn(NO3)2

Product Application

2-Amino-3-formylchromone may be used in the preparation of the following:
• chiral Schiff base ligands (R)/(S)-2-amino-3-(((1-hydroxypropan-2-yl)imino)methyl)-4H-chromen-4-one
• hydrazone derivatives, required for the synthesis of heterocyclic Schiff′s bases having antimicrobial activity[
• N-{4-[(6-chloro-4-oxo-4H-chromen-3-ylmethylene)amino]phenyl}-3,5-dimethyl-benzofuran-2-carboxamide
• N-{4-[(6-chloro-4-oxo-4H-chromen-3-ylmethylene)amino]phenyl}-1,4-dihydro-chromono [2,3-b]pyrrole-2-carboxamide
• 6-chloro-3-{[4-(2-thioxo-3,6-dihydro-2H-1,3,4-thiadiazin-5-ylamino)phenylimino] methyl}- 4-oxo-4H -chromene
• 3¬-(2-amino¬-4¬-oxo¬-4H¬-chromen¬-3-¬yl)methylidene)¬-6-¬ ethyl-¬2H-¬pyrano[3,2-¬c]quinolone-¬2,4,5(3H,6H)-trione

Specifications

Sinónimos

HMS2533J17 | DTXSID50352884 | SMR000253368 | FT-0640753 | BP-12686 | MFCD00191735 | 2-Amino-3-formylchromone, 97% | 2-Amino-3-formylchromone | STK505090 | 2-Amino-4-oxo-4H-1-benzopyran-3-carboxaldehyde | MLS000335614 | BB 0260647 | EN300-09152 | A833215 |

Especificaciones y pureza

≥98%(HPLC)(N)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(N)

Nombres e identificadores

• Pubchem Sid: 488191313
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191313
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=O
• IUPAC Name: 2-amino-4-oxochromene-3-carbaldehyde
• InChIKey: TVGIYZVZBKAJRR-UHFFFAOYSA-N
• INCHI: 1S/C10H7NO3/c11-10-7(5-12)9(13)6-3-1-2-4-8(6)14-10/h1-5H,11H2
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=O
• WGK Alemania: 3
• Peso molecular: 189.17
• Reaxy-Rn: 1371007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1371007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Aryl-aldehydes Benzenoids Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Pyranone - Aryl-aldehyde - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Oxacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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Objetivos asociados (no humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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Plasmodium falciparum (966862 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 250°C(lit.)
• Peso molecular: 189.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.043 Da
• Monoisotopic Mass: 189.043 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 308.000
• 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