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

CAS: 17496-14-9 Cat. No.: M587676 Formula: C₁₀H₁₀O Peso molecolare: 146.19 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

508808408

Sorrisi canonici

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

Isomeri SMILES

CC1CC2=CC=CC=C2C1=O

WGK Germania

3

Peso molecolare

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
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

ACHE Tclin Acetylcholinesterase (2 Activities)

Discover Target: ACHE

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.555 (lit.)
• Punto di infiammabilità (°F): >235.4 °F
• Punto di infiammabilità (°C): >113 °C
• Punto di ebollizione (°C): 93-95 °C/4 mmHg (lit.)
• Peso molecolare: 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