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About This Item
Linear Formula:
CH3C6H7(=O)2
CAS Number:
Molecular Weight:
126.15
Beilstein:
1099692
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
新产品
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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Find documentation for the products that you have recently purchased in the Document Library.
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)
Total synthesis of (+)-fawcettimine.
Xin Linghu et al.
Angewandte Chemie (International ed. in English), 46(40), 7671-7673 (2007-08-31)
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