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

CAS: 1196-79-8 Cat. No.: D119112 Fórmula: C₁₀H₁₁N Peso molecular: 145.21 Beilstein Registry Number: 20(5)7,111 Número 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

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Visão geral

1.Reactant in stereoselective preparation of substituted indoles via rhodium-catalyzed enantioselective coupling reaction of indoles with diazo compounds;2.Reactant in stereoselective synthesis of indolines via palladium-catalyzed asymmetric hydrogenation of unprotected indoles; 3.Reactant in enantioselective synthesis of fluorene derivatives via Friedel-Crafts reactions; 4.Reactant in preparation of bis-indolyldihydroxybenzoquinones by addition indoles to dichlorobenzoquinone promoted by Bronsted acid;5.Reactant in reaction with hydroxypyrazolines.

Specifications

Sinónimos

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

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

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488184620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184620
• Sorrisos canónicos: 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
• SMILES isoméricas: CC1=CC2=C(C=C1)NC(=C2)C
• WGK Alemanha: 3
• Peso molecular: 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
• 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: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol.
• Sensibilidade: Air & Light Sensitive
• Ponto de fusão (°C): 112-113°C
• Peso molecular: 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

Perguntas frequentes

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.