ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
- Product Name
- ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
- CAS No.
- 304693-64-9
- Chemical Name
- ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
- Synonyms
- Ethyl 2-(trifluoromethyl);5-(Ethoxycarbonyl)-2-(trifluoromethyl)pyrimidine;ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE;5-PYRIMIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-, ETHYL ESTER;Ethyl?2-(trifluoromethyl)pyrimidine-5-carboxylate CAS:304693-64-9;ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001:2015 REACH
- CBNumber
- CB3523533
- Molecular Formula
- C8H7F3N2O2
- Formula Weight
- 220.15
- MOL File
- 304693-64-9.mol
ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE Property
- Melting point:
- 65 °C
- Boiling point:
- 194℃
- Density
- 1.344
- Flash point:
- 71℃
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder
- pka
- -3.50±0.22(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
- InChIKey
- LRUCUGOOQHJEQP-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=NC=C(C(OCC)=O)C=N1
Safety
- HS Code
- 2933599590
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- E930603
- Product name
- Ethyl2-(Trifluoromethyl)pyrimidine-5-carboxylate
- Packaging
- 50mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- PC11106
- Product name
- Ethyl2-(trifluoromethyl)pyrimidine-5-carboxylate
- Packaging
- 5g
- Price
- $140
- Updated
- 2021/12/16
- Product number
- 4H23-3-Z8
- Product name
- Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
- Packaging
- 5G
- Price
- $224
- Updated
- 2021/12/16
- Product number
- W5288
- Product name
- Ethyl2-(trifluoromethyl)pyrimidine-5-carboxylate
- Packaging
- 10g
- Price
- $331
- Updated
- 2021/12/16
- Product number
- PC11106
- Product name
- Ethyl2-(trifluoromethyl)pyrimidine-5-carboxylate
- Packaging
- 25g
- Price
- $485
- Updated
- 2021/12/16
ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE Chemical Properties,Usage,Production
Uses
Ethyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate is used to prepare NF-κB and AP-1 gene inhibitors.
Synthesis
720-01-4
304693-64-9
Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate (55.7 g) was added to a mixture of 10% palladium-carbon catalyst (0.3 g), ethanol (1000 ml) and N,N-diisopropylethylamine (90 ml) as a starting material. The reaction was shaken under hydrogen atmosphere at 1 atm for 2 hours. After completion of the reaction, the catalyst was removed by filtration and the solvent was removed by evaporation. The residue was dissolved in dichloromethane, washed sequentially with ammonium chloride solution and water, dried over anhydrous magnesium sulfate, and the solvent was evaporated to afford the target product, ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate, as a light yellow solid (48 g, 100% yield). The structure of the product was confirmed by 1H-NMR (CDCl3) δ 9.42 (2H, s), 4.51 (2H, q), 1.45 (3H, t) and 13C-NMR (CDCl3) δ 162.7,159.4 (2C), 159.3 (q, J=37Hz), 126.3,119.6 (q, J=275Hz), 62.9,. 14.4 Confirmed.
References
[1] Patent: US2004/167142, 2004, A1. Location in patent: Page/Page column 23
[2] Patent: US2013/72470, 2013, A1. Location in patent: Paragraph 0389-0391
[3] Patent: WO2016/91776, 2016, A1. Location in patent: Page/Page column 362
[4] Patent: TW2016/5858, 2016, A. Location in patent: Page/Page column 134
[5] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 1, p. 51 - 55
ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE manufacturers
- Product
- ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE 304693-64-9
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-12-07
- Product
- ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE 304693-64-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98% HPLC
- Supply Ability
- 10 tons/month
- Release date
- 2020-01-08