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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:
Molecular Weight:
170.21
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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 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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

298719-5G:
298719-VAR:
298719-25G:
298719-BULK:


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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