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298719

Methyl 2-oxo-1-cycloheptanecarboxylate

Name: Methyl 2-oxo-1-cycloheptanecarboxylate
Brand: ALDRICH

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About This Item

Linear Formula:

C₇H₁₁(O)CO₂CH₃

CAS Number:

52784-32-4

Molecular Weight:

170.21

NACRES:

NA.22

PubChem Substance ID:

24857994

UNSPSC Code:

12352100

MDL number:

MFCD00010809

Assay:

99%

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Properties

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.)

functional group

ester, ketone

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Regulatory Information

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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)

Global Trade Item Number

SKU	GTIN
298719-25G	04061837498596
298719-5G	04061837498602