6-Methylindole - ≥98% , CAS No.3420-02-8

CAS: 3420-02-8 Cat. No.: M107953 Fórmula: C₉H₉N Peso molecular: 131.17 Beilstein Registry Number: 109708 Número EC: 625-234-6

GRADE & PURITY ≥98%

Synonyms

EN300-39430 | Garox | AKOS004116725 | Q63398396 | HY-W007349 | 1H-Indole, 6-methyl- | InChI=1/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H | 6-Methylindole, 97% | 6-Methyl-1H-indole # | AM803731 | 6-Methyl-1H-indole | 6-Methylindole | 6-METHYL-INDOLE | SB3

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

6-Methylindole is a reactant for preparation of aminoguanidine derivatives of arylsulfonylacylindoles, indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitors and tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles.

· Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators

· Reactant for preparation of indole linked triazole derivatives as antifungal agents

· Reactant for preparation of N-β-D-xylosyl-indole derivatives as SGLT2 inhibitors for management of hyperglycemia in diabetes

· Reactant for preparation of aminoguanidine derivatives of arylsulfonylacylindoles as antifungal agents

· Reactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitors

· Reactant for preparation of arylsulfonylacetylindoles as anti-HIV-1 agents

6-Methylindole was used in the synthesis of benz[c,d]indol-3(1H)-one derivatives.

Specifications

Sinónimos

EN300-39430 | Garox | AKOS004116725 | Q63398396 | HY-W007349 | 1H-Indole, 6-methyl- | InChI=1/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H | 6-Methylindole, 97% | 6-Methyl-1H-indole # | AM803731 | 6-Methyl-1H-indole | 6-Methylindole | 6-METHYL-INDOLE | SB3

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757145
• Sonrisas canónicas: CC1=CC2=C(C=C1)C=CN2
• IUPAC Name: 6-methyl-1H-indole
• InChIKey: ONYNOPPOVKYGRS-UHFFFAOYSA-N
• INCHI: 1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
• Isómeros SMILES: CC1=CC2=C(C=C1)C=CN2
• WGK Alemania: 3
• Número ONU: 3334
• Peso molecular: 131.17
• Beilstein: 109708
• Reaxy-Rn: 109708
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109708&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: a small molecule

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

• Solubilidad: Insoluble in water.
• Sensibilidad: light sensitive;air sensitive;heat sensitive
• Punto de congelación (°C): 29 °C
• Índice de refracción: 1.607
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 112°C
• Punto de fusión (°C): 25-29°C
• Peso molecular: 131.170 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 131.073 Da
• Monoisotopic Mass: 131.073 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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