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

CAS: 17496-14-9 Cat. No.: M587676 Molecular Weight: 146.19 EC Number: 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

Overview

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

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1CC2=CC=CC=C2C1=O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (2 Activities)

Discover Target: ACHE

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20/D 1.555 (lit.)
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 93-95 °C/4 mmHg (lit.)
• Molecular Weight: 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