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168971

Sigma-Aldrich

5,7-Dimethyl-1-tetralone

97%

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About This Item

Empirical Formula (Hill Notation):
C12H14O
CAS Number:
13621-25-5
Molecular Weight:
174.24
EC Number:
237-104-2
MDL number:
MFCD00001694
UNSPSC Code:
12352100
PubChem Substance ID:
24850258
NACRES:
NA.22

Assay

97%

form

solid

bp

98-100 °C/0.2 mmHg (lit.)

mp

48-50 °C (lit.)

SMILES string

Cc1cc(C)c2CCCC(=O)c2c1

InChI

1S/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3

InChI key

UYJCNOMEGPDXMV-UHFFFAOYSA-N

Application

5,7-Dimethyl-1-tetralone was used in the synthesis of new coumarin derivatives. It was used in the synthesis of 5,7-dimethyl-1,2-naphthoquinones by microwave-assisted selenium dioxide oxidation reaction.

Storage Class Code

13 - Non 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

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Certificates of Analysis (COA)

Lot/Batch Number
STBD5356V
S17969V
S17969
06606MD
11526DD

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A rapid access to coumarin derivatives (using Vilsmeier-Haack and Suzuki cross-coupling reactions).
Hesse S and Kirsch G.
Tetrahedron Letters, 43(7), 1213-1215 (2002)
Microwave-assisted selenium dioxide mediated selective oxidation of 1-tetralones to 1, 2-naphthoquinones.
Gelman DM and Perlmutter P.
Tetrahedron Letters, 50(1), 39-40 (2009)

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