ChemicalBook > CAS DataBase List > 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid

2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid

Product Name: 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid
CAS No.: 1186050-58-7
Chemical Name: 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid
Synonyms: 6-(2H-1,2,3-Triazole-2-yl)-fluorobenzoicacid;2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid;Benzoic acid, 2-fluoro-6-(2H-1,2,3-triazol-2-yl)-
CBNumber: CB22693167
Molecular Formula: C9H6FN3O2
Formula Weight: 207.16
MOL File: 1186050-58-7.mol

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2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid Property

Boiling point:: 410.5±55.0 °C(Predicted)
Density: 1.49±0.1 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 2.00±0.36(Predicted)

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

Matrix Scientific

Product number: 094503
Product name: 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid
Purity: 95+%
Packaging: 250mg
Price: $742
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0363848
Product name: 2-FLUORO-6-(2H-1,2,3-TRIAZOL-2-YL)BENZOIC ACID
Purity: 95.00%
Packaging: 1G
Price: $1345.05
Updated: 2021/12/16

Matrix Scientific

Product number: 094503
Product name: 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid
Purity: 95+%
Packaging: 1g
Price: $1647
Updated: 2021/12/16

AK Scientific

Product number: 3053AA
Product name: 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoicacid
Packaging: 250mg
Price: $101
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0363848
Product name: 2-FLUORO-6-(2H-1,2,3-TRIAZOL-2-YL)BENZOIC ACID
Purity: 95.00%
Packaging: 5MG
Price: $505.74
Updated: 2021/12/16

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2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid Chemical Properties,Usage,Production

Synthesis

111771-08-5

288-36-8

1186050-58-7

Method B: Synthesis of 2-fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid. In a 2L three-necked round-bottomed flask equipped with an overhead mechanical stirrer, a thermocouple probe, a heating jacket, a reflux condenser, and a nitrogen inlet, 2-fluoro-6-iodobenzoic acid (127.6 g, 480 mmol), copper iodide (4.57 g, 24 mmol), and Cs2CO3 (312.6 g, 959 mmol) were added in sequence. To the solid mixture was added dioxane (640 mL) followed by water (2.6 mL, 144 mmol), 1H-1,2,3-triazole (55.6 mL, 959 mmol) and trans-1,2-dimethylcyclohexane-1,2-diamine (15.1 mL, 96 mmol). The reaction mixture was gradually warmed up to 60°C for 30 minutes, then warmed up to 83°C for 30 minutes and finally warmed up to 100°C for 3 hours of reaction. After completion of the reaction, the mixture was cooled and 1 L of methyl tert-butyl ether (MTBE) and 1 L of water were added. After vigorous stirring, the organic and aqueous layers were separated. The aqueous layer was acidified with concentrated hydrochloric acid (148 mL) to pH 1.72. The acidified aqueous layer was extracted twice with ethyl acetate (EtOAc). The organic layers were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated to give a dark colored oil. The oil was dissolved in ethyl acetate (450 mL), stirred overnight and filtered to remove the precipitate. Concentration of the mother liquor gave a brown solid product (106.21 g, 75 wt%, quantitative HPLC showed 79.7 g, 80% yield).1H NMR (400 MHz, DMSO-d6) δ: 8.22-8.13 (broad peak, 2H), 7.84-7.80 (multiple peaks, 1H), 7.74-7.65 (multiple peaks, 1H), 7.50- 7.41 (multiple peaks, 1H).

References

[1] Patent: WO2012/145581, 2012, A1. Location in patent: Page/Page column 50

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Shanghai Joiny Pharmaceutical Co.,LTD

Product: 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid 1186050-58-7
Price: US $0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1000kg
Release date: 2025-11-12

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1186050-58-7