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 CE: 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

Visão geral

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504757145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757145
• Sorrisos canónicos: 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
• SMILES isoméricas: CC1=CC2=C(C=C1)C=CN2
• WGK Alemanha: 3
• Número UN: 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
    • 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: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Sensibilidade: light sensitive;air sensitive;heat sensitive
• Ponto de congelamento (°C): 29 °C
• Índice de refração: 1.607
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 112°C
• Ponto de fusão (°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