ChemicalBook--->CAS DataBase List--->1221171-98-7

1221171-98-7

1221171-98-7 Structure

1221171-98-7 Structure
IdentificationBack Directory
[Name]

2-(trifluoroMethoxy)isonicotinic acid
[CAS]

1221171-98-7
[Synonyms]

2-(trifluoroMethoxy)isonicotinic acid
4-Pyridinecarboxylic acid, 2-(trifluoromethoxy)-
[Molecular Formula]

C7H4F3NO3
[MDL Number]

MFCD22571789
[MOL File]

1221171-98-7.mol
[Molecular Weight]

207.11
Chemical PropertiesBack Directory
[Melting point ]

149-152 °C(Solv: chloroform (67-66-3))
[Boiling point ]

315.3±37.0 °C(Predicted)
[density ]

1.527±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

2.99±0.10(Predicted)
Hazard InformationBack Directory
[Synthesis]

2-chloro-6-(trifluoroMethoxy)isonicotinic acid

1221171-97-6

2-(trifluoroMethoxy)isonicotinic acid

1221171-98-7

Palladium catalyst (10% loaded on charcoal, 330 mg) was added to a solution of 2-chloro-6-trifluoromethoxyisonicotinic acid (43, 1.1 g, 4.55 mmol) and ammonium formate (574 mg, 9.1 mmol, 2 eq.) in methanol (8 mL) at 25 °C and mixed by stirring. The reaction mixture was stirred continuously at 55 °C for 16 hours. After completion of the reaction, filtration was carried out and the filtrate was concentrated by evaporation. The residue was partitioned between ethyl acetate (2 x 15 mL) and 2.0 M hydrochloric acid (20 mL) for extraction. The organic layers were combined, dried over sodium sulfate and evaporated to give the pure product 2-trifluoromethoxyisonicotinic acid (44,760 mg, 3.7 mmol, 81% yield) as a white powder with a melting point of 149-152°C. 1H NMR (CD3OD, 300 MHz): δ=8.39 (d, J=5.1 Hz, 1H), 7.77 (dd, J=5.1,1.0 Hz, 1H), 7.51 (d, J=1.0 Hz, 1H).19F NMR ((CD3)2CO, 282 MHz): δ=-57.6.13C NMR (CD3OD, 75 MHz): δ=164.9,157.2,148.4,143.3,121.8,120.3 (q, J=260 Hz). 112.5. Elemental analysis (C7H4F3NO3, Mr=207): calculated values C 40.59%, H 1.95%, N 6.76%; measured values C 40.28%, H 2.21%, N 6.67%.

[References]

[1] Patent: WO2010/40461, 2010, A1. Location in patent: Page/Page column 45
[2] European Journal of Organic Chemistry, 2010, # 31, p. 6043 - 6066
1221171-98-7 suppliers list
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: Hangzhou MolCore BioPharmatech Co.,Ltd.
Tel: +86-057181025280; +8617767106207 , +8617767106207
Website: https://www.molcore.com/
Company Name: PT CHEM GROUP LIMITED
Tel: +86-85511178;
Website: https://www.chemicalbook.com/manufacturer/henan-lihao-chem-plant-25020/
Company Name: GIHI CHEMICALS CO.,LIMITED
Tel: +8618058761490 , +8618058761490
Website: www.gihichem.com/
Company Name: HANGZHOU LEAP CHEM CO., LTD.
Tel: +86-571-87711850
Website: www.leapchem.com
Company Name: Jilin Chinese Academy of Sciences-yanshen Technology
Tel: +undefined18143011203 , +undefined18143011203
Website: www.chemextension.com/
Company Name: Cochemical Co. Ltd.
Tel: +86-029-86115547 +86-17791676824 , +86-17791676824
Website: www.cochemical.com
Company Name: Amadis Chemical Company Limited
Tel: 571-89925085
Website: http://www.amadischem.com
Company Name: ROSEWA HOLDING GROUP CO.,LIMITED
Tel: +86-023-62871537
Website: https://www.chemicalbook.com/ShowSupplierProductsList31018/0_EN.htm
Company Name: Tetranov Biopharm  
Tel: 13526569071
Website: http://www.leadmedpharm.com/index.html
Company Name: Wuhan Kaymke Chemical Co., Ltd.,  
Tel: 027-027-87342388 18086026008
Website: https://www.kmkpharm.cn
Company Name: Cochemical Ltd.  
Tel: 029-86115547 17791676824
Website: http://www.cochemical.com
Company Name: BioPharmaMatrix,Inc.  
Tel: 0510-86010668
Website: http://www.biopharmamatrix.com
Company Name: Wuxi AppTec  
Tel: 022-59987777 13552403979
Website: www.labnetwork.com
Company Name: Aikon International Limited  
Tel: 025-58859352 18068836627
Website: http://www.aikonchem.com
Company Name: Shanghai Jizhi Biochemical Technology Co. Ltd.  
Tel: 021-4009004166/18616739031 18616739031
Website: www.acmec-e.com/
Company Name: Jinan ponder chemical co. LTD  
Tel: 0531-0000
Website: www.chemicalbook.com/ShowSupplierProductsList546697/0_EN.htm
Company Name: Shanghai Haohong Pharmaceutical Co., Ltd.  
Tel: 400-8210725 4008210725
Website: https://www.leyan.com/
Tags:1221171-98-7 Related Product Information

  • HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase | Privacy | Terms | About Us
  • All products displayed on this website are only for non-medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.
    According to relevant laws and regulations and the regulations of this website, units or individuals who purchase hazardous materials should obtain valid qualifications and qualification conditions.
  • Copyright © 2023 ChemicalBook All rights reserved.