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Merck
CN

47749

3-甲酰苯甲酸甲酯

≥98.0% (GC)

别名:

3-甲醛苯甲酸甲酯

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关于此项目

经验公式(希尔记法):
C9H8O3
化学文摘社编号:
分子量:
164.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2690668
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产品名称

3-甲酰苯甲酸甲酯, ≥98.0% (GC)

InChI

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

SMILES string

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

InChI key

UVSBCUAQEZINCQ-UHFFFAOYSA-N

assay

≥98.0% (GC)

form

solid

mp

48-52 °C

functional group

aldehyde
ester

Quality Level

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

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

法规信息

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分析证书(COA)

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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)
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)

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