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1001401-62-2

1001401-62-2 Structure

1001401-62-2 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 2-(2H-1,2,3...
[CAS]

1001401-62-2
[Synonyms]

Benzoic acid, 2-(2H-1,2,3...
2-(2H-1,2,3-triazol-2-yl)benzoic acid
Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)-
[Molecular Formula]

C9H7N3O2
[MDL Number]

MFCD20486491
[MOL File]

1001401-62-2.mol
[Molecular Weight]

189.17
Chemical PropertiesBack Directory
[Boiling point ]

416.4±47.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

2.90±0.36(Predicted)
[Appearance]

Light yellow to brown Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoic acid, 2-(2H-1,2,3...(1001401-62-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Iodobenzoic acid

88-67-5

1,2,3-1H-Triazole

288-36-8

Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)-

1001401-62-2

1. To a 100 mL single-necked round-bottomed flask under nitrogen protection, 1,2,3-triazole (0.7 mmol), 2-iodobenzoic acid (1.0 mmol), cesium carbonate (2.36 g, 7.20 mmol), trans-N,N'-dimethyl-1,2-cyclohexane-1,2-diamine (0.10 g, 0.75 mmol), copper(II) iodide (0.08 g, 0.40 mmol) and N,N-dimethylformamide (18 mL) were added in sequence. 0.40 mmol) and N,N-dimethylformamide (18 mL). 2. The reaction mixture was gradually warmed to 100 °C and the reaction was stirred at this temperature for 4 hours. 3. After completion of the reaction, it was cooled to room temperature and the reaction mixture was diluted with tap water. 4. The aqueous layer was extracted with ethyl acetate (200 mL × 2). 5. Combine the organic layers and dry with anhydrous sodium sulfate. 6. 6. Evaporate the filtrate under pressure to obtain the crude product. 7. The crude product was purified by column chromatography using dichloromethane/methanol (v/v = 30/1) as eluent to afford 2-(2H-1,2,3-triazol-2-yl)benzoic acid (yellow solid, 0.511 g, 67% yield).

[References]

[1] Patent: CN106674207, 2017, A. Location in patent: Paragraph 0217-0220
[2] Patent: WO2012/89606, 2012, A1. Location in patent: Page/Page column 45-46
[3] Patent: WO2016/100157, 2016, A2. Location in patent: Page/Page column 30; 31
[4] Patent: WO2016/85784, 2016, A1. Location in patent: Page/Page column 38-39
[5] Patent: WO2016/100161, 2016, A1. Location in patent: Page/Page column 32
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