2,5-Diméthylindole - ≥97% , CAS No.1196-79-8

CAS: 1196-79-8 Cat. No.: D119112 Formule: C₁₀H₁₁N Poids moléculaire: 145.21 Beilstein Registry Number: 20(5)7,111 Numéro CE: 214-816-1

GRADE & PURITY ≥97%

Synonyms

BIDD:GT0299 | 2,5-Dimethylindole | MFCD00005621 | UNII-ETU94V283M | 2,5-Dimethyl-1H-indole | EINECS 214-816-1 | SCHEMBL75581 | 2,5-Dimethyl-1H-indole # | DTXSID30152521 | 2,5-dimethyl indole | ETU94V283M | 2,5-Dimethyl-Indole

Storage

A conserver à 2-8°C,A l'abri de la lumière,Chargé en argon

Shipped In

Glace humide

Vue d’ensemble

1.Réactif dans la préparation stéréosélective d'indoles substitués via la réaction de couplage énantiosélective d'indoles avec des composés diazoïques catalysée par le rhodium;2.Réactif dans la synthèse stéréosélective d'indolines via l'hydrogénation asymétrique d'indoles non protégés catalysée par le palladium ; 3.Réactif dans la synthèse énantiosélective de dérivés du fluorène via les réactions de Friedel-Crafts ; 4. Réactif dans la préparation de bis-indolyldihydroxybenzoquinones par addition d'indoles à la dichlorobenzoquinone promue par l'acide de Bronsted ; 5. Réactif dans la réaction avec les hydroxypyrazolines.

Specifications

Synonymes

BIDD:GT0299 | 2,5-Dimethylindole | MFCD00005621 | UNII-ETU94V283M | 2,5-Dimethyl-1H-indole | EINECS 214-816-1 | SCHEMBL75581 | 2,5-Dimethyl-1H-indole # | DTXSID30152521 | 2,5-dimethyl indole | ETU94V283M | 2,5-Dimethyl-Indole

Spécifications et pureté

≥97%

Conditions de stockage de stockage

A conserver à 2-8°C,A l'abri de la lumière,Chargé en argon

Expédié en

Glace humide

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488184620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184620
• Sourires canoniques: CC1=CC2=C(C=C1)NC(=C2)C
• IUPAC Name: 2,5-dimethyl-1H-indole
• InChIKey: ZFLFWZRPMDXJCW-UHFFFAOYSA-N
• INCHI: 1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3
• Isomères SMILES: CC1=CC2=C(C=C1)NC(=C2)C
• WGK Allemagne: 3
• Poids moléculaire: 145.21
• Beilstein: 20(5)7,111
• Reaxy-Rn: 113222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113222&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: Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Substituted pyrrole - 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol.
• Sensibilité: Air & Light Sensitive
• Point de fusion (°C): 112-113°C
• Poids moléculaire: 145.200 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.089 Da
• Monoisotopic Mass: 145.089 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1196-79-8, the molecular formula is C10H11N, and the molecular weight is 145.21 g/mol. InChIKey ZFLFWZRPMDXJCW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.