3-Formyl-6-methylchromone - ≥98%(GC) , CAS No.42059-81-4

CAS: 42059-81-4 Cat. No.: F156694 Molecular Weight: 188.18 EC Number: 811-073-0

GRADE & PURITY ≥98%(GC)

Synonyms

UPCMLD0ENAT5342286:001 | Z85934240 | STK399814 | 6-Methylchromone-3-carboxaldehyde | 3-Formyl-6-methylchromone, 97% | F2121-0035 | 6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde | MFCD00138943 | SCHEMBL911098 | F1005 | J-518899 | 5C-082 | 3-Formyl-6-meth

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Formyl-6-methylchromone is a 3-formyl-substituted chromone. The combustion calorimetric estimation of the enthalpy of combustion of 3-formyl-6-methylchromone has been reported. Its anti-proliferative action on the MDR human colon cancer and mouse lymphoma has been investigated.
3-Formyl-6-methylchromone has been used for the synthesis of 3-formyl-6-methylchromone-4-phenylthiosemicarbazone. 3-Formyl-6-methylchromone may be used in the preparation of series of Schiff′s bases, via reaction with aromatic sulfonamides, such as sulfanilamide, homosulfanilamide, 4-aminoethyl-benzenesulfonamide, a pyrimidinyl-substituted sulfanilamide derivative, sulfaguanidine and 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide. It may be used in the preparation of Schiff base, which undergoes addition reaction with diethyl phosphite to afford bis[(1,2,4,3-triazaphospholyl)(chromonyl)aminomethylphosphonate] derivative and bis[(1,2,4,3-triazaphospholyl)(chromonyl)phosphorylamino-methylphosphonate] derivative.

Specifications

Synonyms

UPCMLD0ENAT5342286:001 | Z85934240 | STK399814 | 6-Methylchromone-3-carboxaldehyde | 3-Formyl-6-methylchromone, 97% | F2121-0035 | 6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde | MFCD00138943 | SCHEMBL911098 | F1005 | J-518899 | 5C-082 | 3-Formyl-6-meth

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488191131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191131
• Canonical Smiles: CC1=CC2=C(C=C1)OC=C(C2=O)C=O
• IUPAC Name: 6-methyl-4-oxochromene-3-carbaldehyde
• InChIKey: GBWMIOYSMWCYIZ-UHFFFAOYSA-N
• INCHI: 1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
• Isomeric SMILES: CC1=CC2=C(C=C1)OC=C(C2=O)C=O
• WGK Germany: 3
• Molecular Weight: 188.18
• Reaxy-Rn: 1073905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073905&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Aryl-aldehydes Benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Aryl-aldehyde - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 170.0 to 174.0 °C
• Molecular Weight: 188.180 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.047 Da
• Monoisotopic Mass: 188.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 293.000
• 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