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298719

Sigma-Aldrich

Methyl 2-oxo-1-cycloheptanecarboxylate

99%

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About This Item

Linear Formula:
C7H11(O)CO2CH3
CAS Number:
52784-32-4
Molecular Weight:
170.21
MDL number:
MFCD00010809
UNSPSC Code:
12352100
PubChem Substance ID:
24857994
NACRES:
NA.22

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

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

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Certificates of Analysis (COA)

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Modified coumarins. 12. Synthesis of 3, 4-cycloannelated coumarin ?-d-glucopyranosides.
Garazd YL, et al.
Chemistry of Natural Compounds, 40(1), 6-12 (2004)

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