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47749

Sigma-Aldrich

Methyl 3-formylbenzoate

≥98.0% (GC)

Synonym(s):

Methyl benzaldehyde-3-carboxylate

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About This Item

Empirical Formula (Hill Notation):
C9H8O3
CAS Number:
52178-50-4
Molecular Weight:
164.16
Beilstein/REAXYS Number:
2690668
MDL number:
MFCD00189379
UNSPSC Code:
12352100
PubChem Substance ID:
57651098
NACRES:
NA.22

assay

≥98.0% (GC)

form

solid

mp

48-52 °C

functional group

aldehyde

SMILES string

COC(=O)c1cccc(C=O)c1

InChI

1S/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3

InChI key

UVSBCUAQEZINCQ-UHFFFAOYSA-N

Application

Methyl 3-formylbenzoate may be used in the preparation of the following bioactive compounds:
  • meso-Tetrakis(3-carboxyphenyl)porphyrin via condensation with pyrrole.
  • Methyl 3-[4-(1-methyl-3-phenylureido)phenylaminomethyl]benzoate, which shows moderate SENP1 protease inhibition activity.
  • An N-methyl-sulfonylhydrazone derivative for use as anti-diabetic agent with good plasma stability.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH2297
BCBX5778
BCBL4565V
BCBJ1313V
BCBF1766V

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Synthesis, solubility, plasma stability, and pharmacological evaluation of novel sulfonylhydrazones designed as anti-diabetic agents.
Zapata-Sudo G, et al.
Drug design, development and therapy, 10, 2869-2869 (2016)
Discovery of 1-[4-(N-benzylamino) phenyl]-3-phenylurea derivatives as non-peptidic selective SUMO-sentrin specific protease (SENP) 1 inhibitors.
Uno M, et al.
Bioorganic & Medicinal Chemistry Letters, 22(16), 5169-5173 (2012)
Tetraphilin: a four-helix proton channel built on a tetraphenylporphyrin framework.
Akerfeldt KS, et al.
Journal of the American Chemical Society, 114(24), 9656-9657 (1992)

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