1-Acetilindolina - ≥98% , CAS No.16078-30-1

CAS: 16078-30-1 Cat. No.: A121612 Fórmula: C₁₀H₁₁NO Peso molecular: 161.2 Número CE: 881-370-8

GRADE & PURITY ≥98%

Synonyms

INDOLINE, 1-ACETYL- | F0451-0187 | 1-Acetylindoline, 98% | AKOS003239122 | HMS555O21 | SR-01000389835-1 | SB64066 | A-1414 | 1-(indolin-1-yl)ethan-1-one | RNTCWULFNYNFGI-UHFFFAOYSA-N | Maybridge1_005081 | 1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one | 1-Acety

Storage

Room temperature

Shipped In

Normal

Visão geral

Trata-se de uma amida terciária com grupos N volumosos. Foi relatada a sua redução à amina correspondente, por reação com silano na presença de MoO2Cl2 (catalisador).
. Reator para a preparação de derivados de dióxido de triazolothiadiazepina . Reativo para a preparação de amidas aromáticas halo-substituídas . Reativo para a preparação de derivados de [[[(fenil)piperazinil]alquil]indolil]etanona e [[[(fenoxietil)piperazinil]alquil]indolil]etanona como antagonistas dos receptores α1-adrenérgicos . Reativo para a síntese de derivados de naftalenodionas como agentes antimicobacterianos . Reagente da reação de acoplamento orto Suzuki-Miyaura regiosselectiva Pode ser utilizado na síntese de 5-cloroindole.

Specifications

Sinónimos

INDOLINE, 1-ACETYL- | F0451-0187 | 1-Acetylindoline, 98% | AKOS003239122 | HMS555O21 | SR-01000389835-1 | SB64066 | A-1414 | 1-(indolin-1-yl)ethan-1-one | RNTCWULFNYNFGI-UHFFFAOYSA-N | Maybridge1_005081 | 1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one | 1-Acety

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488183055
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183055
• Sorrisos canónicos: CC(=O)N1CCC2=CC=CC=C21
• IUPAC Name: 1-(2,3-dihydroindol-1-yl)ethanone
• InChIKey: RNTCWULFNYNFGI-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
• SMILES isoméricas: CC(=O)N1CCC2=CC=CC=C21
• WGK Alemanha: 3
• RTECS: NM1892500
• Peso molecular: 161.2
• Reaxy-Rn: 129366
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129366&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Benzenoids Tertiary carboxylic acid amides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Benzenoid - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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

Alvos associados (não humanos)

Glra1 Glycine receptor subunit alpha-1 (65 Activities)

Discover Target: Glra1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 102-104°C
• Peso molecular: 161.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.084 Da
• Monoisotopic Mass: 161.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 16078-30-1, the molecular formula is C10H11NO, and the molecular weight is 161.2 g/mol. InChIKey RNTCWULFNYNFGI-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.