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279951

Sigma-Aldrich

5-Methyl-1,3-cyclohexanedione

98%

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About This Item

Linear Formula:
CH3C6H7(=O)2
CAS Number:
4341-24-6
Molecular Weight:
126.15
Beilstein/REAXYS Number:
1099692
MDL number:
MFCD00010379
UNSPSC Code:
12352100
PubChem Substance ID:
24856918
NACRES:
NA.22

Quality Level

100

assay

98%

mp

126-130 °C (lit.)

SMILES string

CC1CC(=O)CC(=O)C1

InChI

1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3

InChI key

DMIIMPQQPXUKOO-UHFFFAOYSA-N

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Application

5-Methyl-1,3-cyclohexanedione has been used in the synthesis of:
  • racemic (±)-fawcettimine
  • 3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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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Total synthesis of (+)-fawcettimine.
Xin Linghu et al.
Angewandte Chemie (International ed. in English), 46(40), 7671-7673 (2007-08-31)
Ceric ammonium nitrate (CAN)-mediated oxidative cycloaddition of 1, 3-dicarbonyls to vinyl sulfides. Application to the synthesis of evodone and avicequinone-B.
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