4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE
- Product Name
- 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE
- CAS No.
- 1514-96-1
- Chemical Name
- 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE
- Synonyms
- IFLAB-BB F2124-0818;4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE;4-Chloro-2-(trifluoromethyl)-1,3-diazine;Pyrimidine, 4-chloro-2-(trifluoromethyl)-
- CBNumber
- CB0357203
- Molecular Formula
- C5H2ClF3N2
- Formula Weight
- 182.53
- MOL File
- 1514-96-1.mol
4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE Property
- Boiling point:
- 115.4±40.0 °C(Predicted)
- Density
- 1.504g/ml
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -3.28±0.20(Predicted)
- form
- Oil
- color
- Clear Colourless
- InChI
- InChI=1S/C5H2ClF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
- InChIKey
- OVEGSCLVOXWLIV-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=NC=CC(Cl)=N1
Safety
- HazardClass
- IRRITANT
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing 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
- C432635
- Product name
- 4-Chloro-2-(trifluoromethyl)pyrimidine
- Packaging
- 5g
- Price
- $255
- Updated
- 2021/12/16
- Product number
- C432635
- Product name
- 4-Chloro-2-(trifluoromethyl)pyrimidine
- Packaging
- 25g
- Price
- $1010
- Updated
- 2021/12/16
- Product number
- Z2841
- Product name
- 4-Chloro-2-(trifluoromethyl)pyrimidine
- Packaging
- 5g
- Price
- $569
- Updated
- 2021/12/16
- Product number
- PC48400
- Product name
- 4-Chloro-2-(trifluoromethyl)pyrimidine
- Purity
- 97%
- Packaging
- 5g
- Price
- $225
- Updated
- 2021/12/16
- Product number
- PC48400
- Product name
- 4-Chloro-2-(trifluoromethyl)pyrimidine
- Purity
- 97%
- Packaging
- 25g
- Price
- $940
- Updated
- 2021/12/16
4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE Chemical Properties,Usage,Production
Uses
4-Chloro-2-(trifluoromethyl)pyrimidine is used to prepare trifluoromethyl(pyrimidin-??2-??yl)??azetidine-??2-??carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists.
Synthesis
1546-80-1
1514-96-1
General procedure for the synthesis of 4-chloro-2-(trifluoromethyl)pyrimidines from 2-(trifluoromethyl)pyrimidin-4-ol: Intermediate 39a: potassium 2-[4-(trifluoromethyl)pyrimidin-2-yl]acetate [00458] 2-(Trifluoromethyl)-4-pyrimidinol (4.00 g, 24.38 mmol) was dissolved in phosphorochloridic acid (20 mL, 214.57 mmol) and a drop of N,N-dimethylformamide was added as a catalyst. The reaction mixture was heated to 120 °C and kept at this temperature for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under vacuum to remove the excess phosphoryl chloride. The residue was diluted with ethyl acetate (100 mL) and washed sequentially with water (100 mL) and saturated brine (100 mL). The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated in vacuum. The residue was purified by column chromatography using a heptane solution of 50% ethyl acetate as eluent to give 4-chloro-2-(trifluoromethyl)pyrimidine (2.52 g, 13.8 mmol, 56% yield) as a light brown liquid. 1H NMR (DMSO-d6, 400MHz) δ/ppm: 9.07 (1H, d, J = 5.6Hz), 8.11 (1H, d, J = 5.6Hz). MS Method 3: RT: 3.61 min, m/z 182.0 [M + H]+.
References
[1] Patent: CN106883185, 2017, A. Location in patent: Paragraph 0022
[2] Patent: WO2006/99231, 2006, A1. Location in patent: Page/Page column 89
[3] Patent: WO2016/51193, 2016, A1. Location in patent: Paragraph 00456; 00457; 00458
[4] Patent: WO2006/136442, 2006, A1. Location in patent: Page/Page column 29-30
[5] Patent: WO2006/72831, 2006, A1. Location in patent: Page/Page column 55-56
4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE manufacturers
- Product
- 4-Chloro-2-trifluoromethyl-pyrimidine 1514-96-1
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20T
- Release date
- 2020-05-15
- Product
- 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE 1514-96-1
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 90%-99.9%
- Supply Ability
- 1000kg
- Release date
- 2019-07-04