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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

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

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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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