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4,6-Dimethoxy-3-methylindole - 97%, high purity , CAS No.74973-30-1
Basic Description
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%
Specifications & Purity
≥97%
Product Description
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
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
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.
Names and Identifiers
IUPAC Name
4,6-dimethoxy-3-methyl-1H-indole
INCHI
InChI=1S/C11H13NO2/c1-7-6-12-9-4-8(13-2)5-10(14-3)11(7)9/h4-6,12H,1-3H3
InChIKey
JWWAWAORLJVTLE-UHFFFAOYSA-N
Smiles
CC1=CNC2=C1C(=CC(=C2)OC)OC
Isomeric SMILES
CC1=CNC2=C1C(=CC(=C2)OC)OC
WGK Germany
3
Molecular Weight
191.23
Reaxy-Rn
4311552
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4311552&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
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
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