4,6-Dimethoxy-3-methylindole - ≥97% , CAS No.74973-30-1

CAS: 74973-30-1 Cat. No.: D469629 Formule: C₁₁H₁₃NO₂ Poids moléculaire: 191.23 Numéro CE: 623-128-4

GRADE & PURITY ≥97%

Synonyms

4,6-Dimethoxy-3-methyl-1H-indole | SCHEMBL24825685 | 4,6-DIMETHOXY-3-METHYLINDOLE,97% | DTXSID00505267 | 4,6-Dimethoxy-3-methylindole | 4,6-DIMETHOXY-3-METHYLINDOLE, 97%

Storage

Room temperature

Vue d’ensemble

Description

Reactant for:Acid-catalyzed reactions with ketonesSynthesis of pyrrolo[1,2-a]indolesSynthesis of indolo[2,3-c]quinolinesNitration and oxidative dimerization reactions with nitric acid

Specifications

Synonymes

4,6-Dimethoxy-3-methyl-1H-indole | SCHEMBL24825685 | 4,6-DIMETHOXY-3-METHYLINDOLE,97% | DTXSID00505267 | 4,6-Dimethoxy-3-methylindole | 4,6-DIMETHOXY-3-METHYLINDOLE, 97%

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CC1=CNC2=C1C(=CC(=C2)OC)OC

IUPAC Name

4,6-dimethoxy-3-methyl-1H-indole

InChIKey

JWWAWAORLJVTLE-UHFFFAOYSA-N

INCHI

1S/C11H13NO2/c1-7-6-12-9-4-8(13-2)5-10(14-3)11(7)9/h4-6,12H,1-3H3

Isomères SMILES

CC1=CNC2=C1C(=CC(=C2)OC)OC

WGK Allemagne

3

Poids moléculaire

191.23

Reaxy-Rn

4311552

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4311552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles
        • Level5 3-alkylindoles
          • Level6 3-methylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: 3-alkylindoles
• Direct Parent: 3-methylindoles
• Alternative Parents: Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-methylindole - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 191.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.095 Da
• Monoisotopic Mass: 191.095 Da
• Topological Polar Surface Area: 34.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 198.000
• 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