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C101605 Sigma-Aldrich

1,3-Cyclohexanedione

97%

Synonym: Dihydroresorcinol

  • CAS Number 504-02-9

  • Linear Formula C6H8(=O)2

  • Molecular Weight 112.13

  •  Beilstein/REAXYS Number 385888

  •  EC Number 207-980-0

  •  MDL number MFCD00001585

  •  PubChem Substance ID 24892301

  •  NACRES NA.22

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Properties

Related Categories Biochemicals and Reagents, Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis,
Quality Level   100
assay   97%
contains   1-3% sodium chloride as stabilizer
mp   101-105 °C (lit.)
storage temp.   2-8°C
SMILES string   O=C1CCCC(=O)C1
InChI   1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChI key   HJSLFCCWAKVHIW-UHFFFAOYSA-N
Gene Information   human ... ACHE(43), BCHE(590), CES1(1066)

Description

Application

1,3-Cyclohexanedione can be used as a building block in the synthesis of:
• 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
• [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.
It can be also used to prepare 2-substituted adducts, which are important intermediates for the synthesis of ß-enaminones , polyhydroquinoline derivatives , 1,8-dioxo-dodecahydroxanthenes , spirocyclopentanols , oxathioles , and triquinanes.

Packaging

5, 100, 500 g in poly bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 2

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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