47749
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:
Molecular Weight:
164.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2690668
Assay:
≥98.0% (GC)
Form:
solid
Quality Level
assay
≥98.0% (GC)
form
solid
mp
48-52 °C
functional group
aldehyde, ester
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Regulatory Information
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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)
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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 47749-1G-F | 04061826072943 |
| 47749-5G-F | 04061832373065 |
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