ChemicalBook > CAS DataBase List > 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE

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

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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

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Safety

HazardClass: IRRITANT
HS Code: 2933998090

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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.

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N-Bromosuccinimide Price

TRC

Product number: C432635
Product name: 4-Chloro-2-(trifluoromethyl)pyrimidine
Packaging: 5g
Price: $255
Updated: 2021/12/16

TRC

Product number: C432635
Product name: 4-Chloro-2-(trifluoromethyl)pyrimidine
Packaging: 25g
Price: $1010
Updated: 2021/12/16

AK Scientific

Product number: Z2841
Product name: 4-Chloro-2-(trifluoromethyl)pyrimidine
Packaging: 5g
Price: $569
Updated: 2021/12/16

Apolloscientific

Product number: PC48400
Product name: 4-Chloro-2-(trifluoromethyl)pyrimidine
Purity: 97%
Packaging: 5g
Price: $225
Updated: 2021/12/16

Apolloscientific

Product number: PC48400
Product name: 4-Chloro-2-(trifluoromethyl)pyrimidine
Purity: 97%
Packaging: 25g
Price: $940
Updated: 2021/12/16

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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

Ethanol Ethyl formate Sodium Phosphorus oxitrichloride N,N-Dimethylaniline Diethyl ether Trifluoroacetamidine

Preparation Products

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View Lastest Price from 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE manufacturers

Shaanxi Dideu Medichem Co. Ltd

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

Career Henan Chemical Co

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

1514-96-1, 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINERelated Search:

4-CHLORO-2-(TRIFLUOROMETHYL)QUINAZOLINE 4-CHLORO-5,6-DIMETHYL-2-(TRIFLUOROMETHYL)PYRIMIDINE Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBONYL CHLORIDE Acetamide, 2,2-dichloro-N-[p-cinnamoyl-β-hydroxy-α-(hydroxymethyl)phenethyl]-,D-threo-(8CI) ETHYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE,Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine- 2-Chloro-4-(trifluoromethyl)pyrimidine 99%,2-Chloro-4-(trifluoromethyl)pyrimidine99%,2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE 4-CHLOROBENZYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE 6-Chloro-4-(trifluoromethyl)pyrimidine 2-AMINO-4-CHLORO-6-TRIFLUOROMETHYL-PYRIMIDINE BENZYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE METHYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE,Methyl2-chloro-4-(trifluoromethyl)pyrimidine-5 2-Trifluoromethylpyrimidine 4,8-DICHLORO-2-TRIFLUOROMETHYL-QUINAZOLINE 4,6-dichloro-2-(trifluoromethyl)pyrimidine 4,6-DICHLORO-5-NITRO-2-(TRIFLUOROMETHYL)PYRIMIDINE QUINAZOLINE, 6-BROMO-4-CHLORO-2-(TRIFLUOROMETHYL)-

4-Chloro-2-(trifluoromethyl)-1,3-diazine

IFLAB-BB F2124-0818

4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE

Pyrimidine, 4-chloro-2-(trifluoromethyl)-

1514-96-1