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Sigma-Aldrich

3-Methyl-1-indanone

99%

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About This Item

Empirical Formula (Hill Notation):
C10H10O
CAS Number:
6072-57-7
Molecular Weight:
146.19
MDL number:
MFCD00156725
UNSPSC Code:
12352100
PubChem Substance ID:
24864370
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.558 (lit.)

bp

70-72 °C/0.7 mmHg (lit.)

density

1.075 g/mL at 25 °C (lit.)

SMILES string

CC1CC(=O)c2ccccc12

InChI

1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3

InChI key

XVTQSYKCADSUHN-UHFFFAOYSA-N

General description

3-Methyl-1-indanone is a derivative of 1-indanone.Its synthesis has been reported. The 1H and 13C-NMR spectra of 3-methyl-1-indanone has been reported. Biocatalyzed oxidation of racemic 3-methyl-1-indanone with high enanatioselectivity has been investigated.

Application

3-Methyl-1-indanone is suitable for the synthesis of branched alkyl indanes (BINs). It may be used in the following studies:
  • Synthesis of 2,2,3-tribromo-2,3-dihydro-3-methylinden-1-one and 2-bromo-3-bromomethyl-1H-inden-1-one.
  • As photosensitizers for the splitting of dimethylthymine dimers.
  • As a model to verify three-phase model in enantioselective gas-liquid chromatography.
  • (-)-(R)-3-methyl-1-indanone may be used as standard for comparing the optical rotatory dispersion curve with 1,3-dialkylindenes in the study of base-catalyzed 1,3 proton transfer in indene systems.
  • As an optically active sensitizer to induce asymmetry in trans-1,2-diphenylcylcopropane (DPC).
  • The dl-isomers of 3-methyl-1-indanone may be used in the synthesis of monomeric and trimeric 3-methyl-1-indanethione.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Ana Rioz-Martínez et al.
The Journal of organic chemistry, 75(6), 2073-2076 (2010-02-20)
Baeyer-Villiger monooxygenases have been tested in the oxidation of racemic benzofused ketones. When employing a single mutant of phenylacetone monooxygenase (M446G PAMO) under the proper reaction conditions, it was possible to achieve 3-substituted 3,4-dihydroisocoumarins with high yields and optical purities
Photochemistry of ketones in solution--49. A study of photosensitized splitting of dimethylthymine dimers.
D I Schuster et al.
Photochemistry and photobiology, 25(3), 239-242 (1977-03-01)
Electrophilic substitution at saturated carbon. XLIII. Alkylammonium carbanide ion-pair reorganization reactions in base-catalyzed 1,3-proton transfer in an indene system.
Almy J and Cram DJ.
Journal of the American Chemical Society, 91(16), 4459-4468 (1969)
Thiocarbonyls. VI. Studies in the Indanone and Tetralone Series1.
Campaigne E and Moss RD.
Journal of the American Chemical Society, 76(5), 1269-1271 (1954)
Asymmetric induction during transfer of triplet energy.
Ouannes C, et al.
Journal of the American Chemical Society, 95(25), 8472-8474 (1973)
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