1-Methyl-2-phenylindole - ≥99% , CAS No.3558-24-5

CAS: 3558-24-5 Cat. No.: M111466 Formula: C₁₅H₁₃N Peso molecolare: 207.27 Numero EC: 222-618-1

GRADE & PURITY ≥99%

Synonyms

NSC 63793 | NSC 63793 | AS-59068 | J-504920 | Indole, 1-methyl-2-phenyl- | SY038925 | Z104479722 | BP-13058 | CCRIS 3982 | DTXSID5063073 | STK202660 | AMY23168 | AKOS001426229 | 1-methyl-2-phenyl-1H-indol | UNII-IE3UB978IA | AB00775587-01 | EINECS 222-618

Storage

Room temperature

Shipped In

Normal

Panoramica

Reaction of 1-methyl-2-phenylindole with nitrogen dioxide or with nitrous acid (NaNO2-CH3COOH) in benzene has been studied. 1-Methyl-2-phenylindole is reported to react with malondialdehyde (MDA) and 4-hydroxyalkenals to afford a stable chromophore with intense maximal absorbance at 586nm.
Application
Reactant for preparation of: Cyano indoles Difluorohydroxy indoles Reactant for: Carboxylation of indoles Allylation of indoles Formylation of indoles Nitrosylation of indoles 1-Methyl-2-phenylindole may be used in the following studies: The estimation of lipid peroxidation in third instar larvae of transgenic Drosophila melanogaster (hsp70-lacZ)Bg. As chromogenic agent for the determination of estimation of malondialdehyde (MDA) production. Colorimetric assay of lipid peroxidation. Synthesis of 1-methyl-2-phenyl-3-(1,3,4-thiadiazol-2-yldiazenyl)-1H-indole. Synthesis of 3-(5-ethyl-1,3,4-thiadiazol-2-yldiazenyl)-1-methyl-2-phenyl-1H-indole.

Specifications

Sinonimi

NSC 63793 | NSC 63793 | AS-59068 | J-504920 | Indole, 1-methyl-2-phenyl- | SY038925 | Z104479722 | BP-13058 | CCRIS 3982 | DTXSID5063073 | STK202660 | AMY23168 | AKOS001426229 | 1-methyl-2-phenyl-1H-indol | UNII-IE3UB978IA | AB00775587-01 | EINECS 222-618

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504755145

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755145

Sorrisi canonici

CN1C2=CC=CC=C2C=C1C3=CC=CC=C3

IUPAC Name

1-methyl-2-phenylindole

InChIKey

SFWZZSXCWQTORH-UHFFFAOYSA-N

INCHI

1S/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3

Isomeri SMILES

CN1C2=CC=CC=C2C=C1C3=CC=CC=C3

WGK Germania

3

Peso molecolare

207.27

Reaxy-Rn

148770

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=148770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles N-alkylindoles N-methylpyrroles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - 2-phenylpyrrole - N-alkylindole - Benzenoid - Substituted pyrrole - N-methylpyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 98-100°C
• Peso molecolare: 207.270 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 207.105 Da
• Monoisotopic Mass: 207.105 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 232.000
• 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