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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:
2690668
MDL number:
MFCD00189379
UNSPSC Code:
12352100
PubChem Substance ID:
57651098
NACRES:
NA.22

Assay

≥98.0% (GC)

form

solid

mp

48-52 °C

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

Related Categories

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

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

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.

JAN Code

47749-VAR-F:
47749-1G-F:
47749-5G-F:
47749-BULK-F:

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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Sigma-Aldrich

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Supelco

32952

TCPP, mixture of isomers

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)
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)

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