4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
- CAS No.
- 1197377-47-1
- Chemical Name:
- 4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
- Synonyms
- (3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile;4-(3-AMINO-1,2,4-TRIAZIN-6-YL)-2-FLUOROBENZONITRILE;Benzonitrile, 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-
- CBNumber:
- CB12652323
- Molecular Formula:
- C10H6FN5
- Molecular Weight:
- 215.19
- MOL File:
- 1197377-47-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/12/28 18:13:10
| Boiling point | 497.4±55.0 °C(Predicted) |
|---|---|
| Density | 1.46±0.1 g/cm3 (20 ºC 760 Torr) |
| pka | 2?+-.0.63(Predicted) |
| InChI | InChI=1S/C10H6FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5H,(H2,13,14,16) |
| InChIKey | JXQHTMHBDHVPDQ-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(C2N=NC(N)=NC=2)C=C1F |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H317 |
| Precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501 |
4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile Chemical Properties,Uses,Production
Synthesis
4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile could be synthesize from the reaction of 6-bromo-1,2,4-triazin-3-amine with 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile. A solution concluding these two compounds in 1,4-dioxane (1200 mL) was stirred before K2CO3 was added. The reaction mixture was degassed by bubbling with nitrogen before 1,1'-bis(diphenyl phosphine)ferrocene dichloropalladium(II) complex with dichloromethane (1:1) (Pd(dppf)2Cl2 was added. The resulting reaction mixture was degassed by bubbling with nitrogen and then heated at 86° C. After the reaction mixture was cooled to 0-5° C. 1,4-Dioxane was added before aqueous hydrochloric acid solution was added dropwise to adjust pH to 0.40-0.93. The mixture was stirred at for 30 min and filtered. The solid collected was stirred with 1,4-dioxane, and HCl added. Finally, after purification, product 4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile was obtained.
Solubility in organics
Very soluble in N,N-Dimethylformamide,Soluble in methanol,Sparingly soluble inglacial acetic acid, Very slightly soluble inchloroform, Practically insoluble in water.
storage
Keep in dark place,Inert atmosphere,Room temperature
4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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| Suzhou Ryan Pharmachem Technology Co.,Ltd. | +86-512-68780025 +8618962125825 | China | 137 | 58 | Inquiry |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | China | 20308 | 58 | Inquiry |
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| SIMAGCHEM CORP | +86-13806087780 | China | 17367 | 58 | Inquiry |
| ANHUI WITOP BIOTECH CO., LTD | +8615255079626 | China | 23556 | 58 | Inquiry |
| Golden Pharma Co., Limited | +undefined18958062155 | China | 5905 | 58 | Inquiry |
| Meike meditech (Foshan) Co.,Ltd | +86-0757-22239986 +86-18029359586 | China | 1134 | 58 | Inquiry |