- Trifluoromethylation of heterocycles in water at room temperatureFennewald, James C.; Lipshutz, Bruce H., Green Chemistry, 2014, 16(3), 1097-1100
Cas no 916210-02-1 (2-(Trifluoromethyl)isonicotinonitrile)
916210-02-1 structure
Product Name:2-(Trifluoromethyl)isonicotinonitrile
CAS No:916210-02-1
MF:C7H3F3N2
MW:172.107331514359
MDL:MFCD11848100
CID:837930
PubChem ID:53403825
Update Time:2024-10-26
2-(Trifluoromethyl)isonicotinonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(Trifluoromethyl)isonicotinonitrile
- 2-(trifluoromethyl)pyridine-4-carbonitrile
- 2-Trifluoromethyl-isonicotinonitrile
- 2-(Trifluoromethyl)-4-pyridinecarbonitrile (ACI)
- AKOS015966551
- 2-?(Trifluoromethyl)?-?4-?pyridinecarbonitrile
- DA-27563
- AC-29144
- EN300-203382
- SCHEMBL2990873
- Z1255451137
- MFCD11848100
- PS-6669
- SY043090
- CS-0373223
- 916210-02-1
- DTXSID40695252
- 2-(trifluoromethyl) isonicotinonitrile
- SB53502
-
- MDL: MFCD11848100
- Inchi: 1S/C7H3F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H
- InChI Key: MLFFNKLBERSEPF-UHFFFAOYSA-N
- SMILES: N#CC1C=C(C(F)(F)F)N=CC=1
Computed Properties
- Exact Mass: 172.02500
- Monoisotopic Mass: 172.02483259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 36.7?2
Experimental Properties
- Boiling Point: 186.4±35.0℃ at 760 mmHg
- PSA: 36.68000
- LogP: 1.97208
2-(Trifluoromethyl)isonicotinonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM103402-5g |
2-(Trifluoromethyl)isonicotinonitrile |
916210-02-1 | 95% | 5g |
$1403 | 2021-08-06 | |
| TRC | T899000-5mg |
2-(trifluoromethyl)isonicotinonitrile |
916210-02-1 | 5mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T899000-10mg |
2-(trifluoromethyl)isonicotinonitrile |
916210-02-1 | 10mg |
$ 65.00 | 2022-06-02 | ||
| TRC | T899000-50mg |
2-(trifluoromethyl)isonicotinonitrile |
916210-02-1 | 50mg |
$ 115.00 | 2022-06-02 | ||
| Apollo Scientific | PC49309-250mg |
2-(Trifluoromethyl)isonicotinonitrile |
916210-02-1 | 95%min | 250mg |
£120.00 | 2025-02-21 | |
| Apollo Scientific | PC49309-1g |
2-(Trifluoromethyl)isonicotinonitrile |
916210-02-1 | 95%min | 1g |
£361.00 | 2025-02-21 | |
| abcr | AB444889-1 g |
2-(Trifluoromethyl)pyridine-4-carbonitrile, min. 95%; . |
916210-02-1 | 1g |
€728.00 | 2023-04-22 | ||
| abcr | AB444889-5 g |
2-(Trifluoromethyl)pyridine-4-carbonitrile, min. 95%; . |
916210-02-1 | 5g |
€1,586.00 | 2023-04-22 | ||
| Fluorochem | 220492-1g |
2-(Trifluoromethyl)isonicotinonitrile |
916210-02-1 | 95% | 1g |
£1205.00 | 2022-03-01 | |
| Chemenu | CM103402-5g |
2-(Trifluoromethyl)isonicotinonitrile |
916210-02-1 | 95% | 5g |
$1403 | 2024-07-20 |
2-(Trifluoromethyl)isonicotinonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Poly(oxy-1,2-ethanediyl), α-[4-[[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trime… Solvents: Water ; rt → 5 °C; 2 - 3 min, 5 °C
1.2 Reagents: tert-Butyl hydroperoxide Solvents: Water ; 5 °C; 44 h, 23 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water ; 23 °C
1.2 Reagents: tert-Butyl hydroperoxide Solvents: Water ; 5 °C; 44 h, 23 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water ; 23 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide Solvents: Dichloromethane , Water ; 0 °C; 0 °C → 23 °C; 40 h, 23 °C
Reference
- Innate C-H trifluoromethylation of heterocyclesJi, Yining; Brueckl, Tobias; Baxter, Ryan D.; Fujiwara, Yuta; Seiple, Ian B.; et al, Proceedings of the National Academy of Sciences of the United States of America, 2011, 108(35), 14411-14415
Production Method 3
Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide , Pyridine Solvents: Dimethyl sulfoxide ; 1.5 - 2 h, 50 °C
Reference
- Radical-Based Regioselective C-H Functionalization of Electron-Deficient Heteroarenes: Scope, Tunability, and PredictabilityO'Hara, Fionn; Blackmond, Donna G.; Baran, Phil S., Journal of the American Chemical Society, 2013, 135(32), 12122-12134
2-(Trifluoromethyl)isonicotinonitrile Raw materials
2-(Trifluoromethyl)isonicotinonitrile Preparation Products
2-(Trifluoromethyl)isonicotinonitrile Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
916210-02-1 (2-(Trifluoromethyl)isonicotinonitrile) Related Products
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- 403665-34-9(4-Quinolinecarbonitrile,6-methyl-2-(trifluoromethyl)-)
- 749256-94-8(Pyridine, 2,4-dimethyl-6-(trifluoromethyl)- (Related Reference))
- 206559-70-8(2,6-Bis(trifluoromethyl)quinoline-4-carbonitrile, 97%)
- 143812-67-3(5-(trifluoromethyl)-1H-Pyrrole-3-carbonitrile)
- 868662-64-0(2-(trifluoromethyl)quinoline-6-carbonitrile)
- 1211528-71-0(2-(Difluoromethyl)isonicotinonitrile)
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