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179057-10-4

179057-10-4 Structure

179057-10-4 Structure
IdentificationBack Directory
[Name]

METHYL 4-(1H-PYRAZOL-3-YL) BENZOATE
[CAS]

179057-10-4
[Synonyms]

Methyl 4-(3-pyrazolyl)benzoate
Methyl 4-(1H-pyrazol-5-yl)benzoate
METHYL 4-(1H-PYRAZOL-3-YL) BENZOATE
4-(1H-Pyrazol-3-yl)-benzoic acid methyl ester
Benzoic acid, 4-(1H-pyrazol-3-yl)-, methyl ester
[Molecular Formula]

C11H10N2O2
[MDL Number]

MFCD11226146
[MOL File]

179057-10-4.mol
[Molecular Weight]

202.21
Chemical PropertiesBack Directory
[Boiling point ]

408.1±28.0 °C(Predicted)
[density ]

1.231±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

12.61±0.10(Predicted)
Hazard InformationBack Directory
[Synthesis]

3-(4-CARBOXYPHENYL)PYRAZOLE

208511-67-5

Iodomethane

74-88-4

METHYL 4-(1H-PYRAZOL-3-YL) BENZOATE

179057-10-4

4-(1H-pyrazol-3-yl)benzoic acid (0.30 g, 1.6 mmol) and iodomethane (0.34 g, 2.4 mmol) were used as raw materials, and the reaction was stirred for 1 h at room temperature with the addition of K2CO3 (0.66 g, 7.78 mmol) in DMF (8 mL) (the progress of the reaction was monitored by TLC, and the unfolding agent was 10% MeOH/CHCl3). . After completion of the reaction, the mixture was diluted with water (30 mL) and extracted with EtOAc (2 x 30 mL). The organic layers were combined, washed sequentially with water and brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford methyl 4-(1H-pyrazol-3-yl)benzoate (0.31 g, 96% yield). The product was characterized by 1H NMR (DMSO-d6): δ 13.10 (br s, 1H), 7.98 (m, 4H), 7.80 (br s, 1H), 6.83 (d, J = 2.2 Hz, 1H), 3.86 (s, 3H).

[References]

[1] Patent: WO2007/103456, 2007, A2. Location in patent: Page/Page column 120
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