ChemicalBook--->CAS DataBase List--->1514-96-1

1514-96-1

1514-96-1 Structure

1514-96-1 Structure
IdentificationBack Directory
[Name]

4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE
[CAS]

1514-96-1
[Synonyms]

IFLAB-BB F2124-0818
4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE
4-Chloro-2-(trifluoromethyl)-1,3-diazine
Pyrimidine, 4-chloro-2-(trifluoromethyl)-
[Molecular Formula]

C5H2ClF3N2
[MDL Number]

MFCD06411632
[MOL File]

1514-96-1.mol
[Molecular Weight]

182.53
Chemical PropertiesBack Directory
[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)
[form ]

Oil
[pka]

-3.28±0.20(Predicted)
[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 DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H226-H302-H312-H332-H315
[Precautionary statements ]

P261-P271-P280
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Hydroxy-2-(trifluoromethyl)pyrimidine
[Preparation Products]

2-(trifluoromethyl)pyrimidine-4-carboxylic acid
Hazard InformationBack Directory
[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]

4-Hydroxy-2-(trifluoromethyl)pyrimidine

1546-80-1

4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE

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
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE(1514-96-1)1HNMR
1514-96-1 suppliers list
Company Name: Capot Chemical Co.,Ltd.
Tel: +8613336195806 , +8613336195806
Website: www.capot.com
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: Accela ChemBio Inc.
Tel: +1-858-6993322
Website: www.accelachem.com/
Company Name: Hubei xin bonus chemical co. LTD
Tel: 86-13657291602
Website: www.chemicalbook.com/ShowSupplierProductsList1549548/0_EN.htm
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: Wuhan Chemwish Technology Co., Ltd
Tel: 027-67849912
Website: www.chemicalbook.com/ShowSupplierProductsList485773/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Company Name: Shaanxi Dideu Medichem Co. Ltd
Tel: +86-029-81138252 +86-173 9270 1263 , +86-173 9270 1263
Website: www.chemicalbook.com/manufacturer/shaanxi-dideu-medichem-222/
Company Name: Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
Tel: +8613580539051 , +8613580539051
Website: www.yuhengpharm.com
Company Name: Neostar United (Changzhou) Industrial Co., Ltd.
Tel: +86-0519-85551759 +8613506123987 , +8613506123987
Website: http://www.neostarunited.com
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418671 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Company Name: Hunan Jibang Biological Technology Co., LTD
Tel: +8613776644403 , +8613776644403
Website: www.chemicalbook.com/ShowSupplierProductsList124423/0_EN.htm
Company Name: LEAP CHEM CO., LTD.
Tel: +86-852-30606658 19957148339; , 19957148339;
Website: https://www.leapchem.com
Company Name: ZHEJIANG JIUZHOU CHEM CO., LTD
Tel: +86-0576225566889 +86-13454675544 , +86-13454675544
Website: http://www.jiuzhou-chem.com/
Company Name: Lewoo Pharmatech(Shanghai)Co.,Ltd
Tel: +86-15800805830
Website: www.chemicalbook.com/ShowSupplierProductsList1639620/0_EN.htm
Company Name: Aceschem Inc.
Tel: +1-817863-6948 +1-(817)863-6948 , +1-(817)863-6948
Website: www.aceschem.com/
Company Name: Shanghai Acmec Biochemical Technology Co., Ltd.
Tel: +86-18621343501; +undefined18621343501 , +undefined18621343501
Website: http://www.acmec.com.cn/
Company Name: Aladdin Scientific
Tel:
Website: www.aladdinsci.com/
Tags:1514-96-1 Related Product Information
720-01-4 175277-32-4 154934-99-3 33034-67-2 175137-30-1 37552-81-1 175137-29-8 175137-27-6

  • 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.