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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)

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Asymmetric induction during transfer of triplet energy.
Ouannes C, et al.
Journal of the American Chemical Society, 95(25), 8472-8474 (1973)
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)
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
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)
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)
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