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298719 Sigma-Aldrich

Methyl 2-oxo-1-cycloheptanecarboxylate

99%

  • CAS Number 52784-32-4

  • Linear Formula C7H11(O)CO2CH3

  • Molecular Weight 170.21

  •  MDL number MFCD00010809

  •  PubChem Substance ID 24857994

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   99%
refractive index   n20/D 1.474 (lit.)
bp   112-114 °C/10 mmHg (lit.)
density   1.09 g/mL at 25 °C (lit.)
SMILES string   COC(=O)C1CCCCCC1=O
InChI   1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3
InChI key   BLNHITXSJKCQGZ-UHFFFAOYSA-N

Description

Application

Methyl 2-oxo-1-cycloheptanecarboxylate was used in preparation of:
• hydroxycoumarins via Pechmann condensation with polyphenols
• 3-hydroxy-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-6-one
• 3-hydroxy-4-methyl-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-6-one

Packaging

5, 25 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles
Peer-Reviewed Papers
15

References

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