279951

Sigma-Aldrich

5-Methyl-1,3-cyclohexanedione

98%

Linear Formula:
CH3C6H7(=O)2
CAS Number:
Molecular Weight:
126.15
Beilstein/REAXYS Number:
1099692
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

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

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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.
Lee YR, et al.
Bull. Korean Chem. Soc., 23(10), 1477-1480 (2002)

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