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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

168971-10G:
168971-VAR:
168971-BULK:
168971-50G:

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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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