2-Methyl-1-indanone - ≥95% , CAS No.17496-14-9

CAS: 17496-14-9 Cat. No.: M587676 Peso molecular: 146.19 Número EC: 605-746-6

GRADE & PURITY ≥95%

Synonyms

2-Methyl-1-indanone, 99% | MFCD00192303 | DTXSID30290210 | NCIOpen2_000118 | 2-Methyl-2,3-dihydro-1H-inden-1-one | EN300-59616 | SY081370 | EN300-100485 | (+/-)-2-methyl-1-indanone | NSC67345 | NSC-67345 | UNII-OS704F44DR | SCHEMBL13866434 | 2-Methylindan

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Product Describtion:

2-Methyl-1-indanone, a α-benzocycloalkenone, is a derivative of 1-indanone. Its synthesis has been reported. The enzymatic dynamic kinetic resolution (DKR) of racemic 2-methyl-1-indanone has been studied. The asymmetric α-arylation and hydroxymethylation of 2-methyl-1-indanone has been reported. It participated in the synthesis of 2-methyl-6-carboxyazulene.

Product Application:

2-Methyl-1-indanone may be used as a starting material in the synthesis of β-benzocycloalkenone.It may be used in the synthesis of the following:
cyclohex-2-en-1-yl 2-methyl-1H-inden-3-yl carbonate；
2-hydroxy-2-methyl-1-indanone；
O-alkoxycarbonylation of lithium enolates.

Specifications

Sinónimos

2-Methyl-1-indanone, 99% | MFCD00192303 | DTXSID30290210 | NCIOpen2_000118 | 2-Methyl-2, 3-dihydro-1H-inden-1-one | EN300-59616 | SY081370 | EN300-100485 | (+/-)-2-methyl-1-indanone | NSC67345 | NSC-67345 | UNII-OS704F44DR | SCHEMBL13866434 | 2-Methylindan

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1CC2=CC=CC=C2C1=O
• IUPAC Name: 2-methyl-2,3-dihydroinden-1-one
• InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
• INCHI: 1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
• Isómeros SMILES: CC1CC2=CC=CC=C2C1=O
• WGK Alemania: 3
• Peso molecular: 146.19
• Reaxy-Rn: 2043573
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043573&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (2 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.555 (lit.)
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 93-95 °C/4 mmHg (lit.)
• Peso molecular: 146.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 174.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1