7-Fluoro-4-hydroxycoumarin - ≥97% , CAS No.2145-27-9

CAS: 2145-27-9 Cat. No.: F486887 Peso molecular: 180.13 Número EC: 663-623-2

GRADE & PURITY ≥97%

Synonyms

7-Fluoro-4-hydroxy-2H-1-benzopyran-2-one | 7-fluoro-2-hydroxy-4h-chromen-4-one | AS-65486 | 7-FLUORO-4-HYDROXYCHROMEN-2-ONE | SY130835 | 7-Fluoro-4-hydroxy-2H-chromen-2-one | AMY1211 | Z1255458510 | D76211 | FSWKHPJLMMGTBV-UHFFFAOYSA-N | 7-Fluoro-4-hydrox

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Description

Reactant for:Enantioselective synthesis of polycyclic coumarins via in situ formed primary amine-imine-catalyzed asymmetric Michael addition to cyclic enonesPreparation of dicoumarol analogs as inhibitors of human NAD(P)H quinone oxidoreductase-1 (NQO1) as agents active against human pancreatic and colon cancer cellsImidazolidinecarboxylic acid-catalyzed asymmetric Michael reaction with unsaturated ketones in a highly atom-economic catalytic one-step formation of optically active warfarin anticoagulantAsymmetric synthesis of functionalized α-keto esters and their hemiketal and hemiaminal derivatives via direct Michael addition with unsaturated α-keto esters catalyzed by bisoxazoline-copper(II) complexes

Specifications

Sinónimos

7-Fluoro-4-hydroxy-2H-1-benzopyran-2-one | 7-fluoro-2-hydroxy-4h-chromen-4-one | AS-65486 | 7-FLUORO-4-HYDROXYCHROMEN-2-ONE | SY130835 | 7-Fluoro-4-hydroxy-2H-chromen-2-one | AMY1211 | Z1255458510 | D76211 | FSWKHPJLMMGTBV-UHFFFAOYSA-N | 7-Fluoro-4-hydrox

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504771378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771378
• Sonrisas canónicas: C1=CC2=C(C=C1F)OC(=O)C=C2O
• IUPAC Name: 7-fluoro-4-hydroxychromen-2-one
• InChIKey: FSWKHPJLMMGTBV-UHFFFAOYSA-N
• INCHI: 1S/C9H5FO3/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,11H
• Isómeros SMILES: C1=CC2=C(C=C1F)OC(=O)C=C2O
• WGK Alemania: 3
• Peso molecular: 180.13
• Reaxy-Rn: 1311056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1311056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Benzenoids Aryl fluorides Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl fluoride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light ，Heat and Moisture sensitive
• Peso molecular: 180.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 180.022 Da
• Monoisotopic Mass: 180.022 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 262.000
• 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