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

CAS: 3420-02-8 Cat. No.: M107953 Formule: C₉H₉N Poids moléculaire: 131.17 Beilstein Registry Number: 109708 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504757145

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757145

Sourires canoniques

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

Isomères SMILES

CC1=CC2=C(C=C1)C=CN2

WGK Allemagne

3

Numéro ONU

3334

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Sensibilité: light sensitive;air sensitive;heat sensitive
• Point de congélation (°C): 29 °C
• Indice de réfraction: 1.607
• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): 110 °C
• Point d'ébullition (°C): 112°C
• Point de fusion (°C): 25-29°C
• Poids moléculaire: 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