- Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library SynthesisLi, Jian-Yuan; Miklossy, Gabriella; Modukuri, Ram K.; Bohren, Kurt M.; Yu, Zhifeng; et al, Bioconjugate Chemistry, 2019, 30(8), 2209-2215
Cas no 958452-21-6 (4-Chloro-5-(trifluoromethyl)pyrimidine)
958452-21-6 structure
Product Name:4-Chloro-5-(trifluoromethyl)pyrimidine
CAS No:958452-21-6
MF:C5H2ClF3N2
MW:182.530990123749
CID:4723294
PubChem ID:54052695
Update Time:2024-10-25
4-Chloro-5-(trifluoromethyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-5-(trifluoromethyl)pyrimidine
- Pyrimidine, 4-chloro-5-(trifluoromethyl)-
- 4-Chloro-5-(trifluoromethyl)pyrimidine (ACI)
- MDNYDIHNUDMMST-UHFFFAOYSA-N
- SCHEMBL1374977
- SB57604
- F53370
- 958452-21-6
- 4-Chloro-5-(trifluoromethyl)pyrimidine
-
- Inchi: 1S/C5H2ClF3N2/c6-4-3(5(7,8)9)1-10-2-11-4/h1-2H
- InChI Key: MDNYDIHNUDMMST-UHFFFAOYSA-N
- SMILES: ClC1C(=CN=CN=1)C(F)(F)F
Computed Properties
- Exact Mass: 181.9858603g/mol
- Monoisotopic Mass: 181.9858603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 25.8
- XLogP3: 2
4-Chloro-5-(trifluoromethyl)pyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A039002034-250mg |
4-Chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 98% | 250mg |
$898.60 | 2023-08-31 | |
| Alichem | A039002034-500mg |
4-Chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 98% | 500mg |
$1165.54 | 2023-08-31 | |
| Alichem | A039002034-1g |
4-Chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 98% | 1g |
$2206.43 | 2023-08-31 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FD00614-5g |
4-chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 95% | 5g |
$2690 | 2023-09-07 | |
| Chemenu | CM531020-250mg |
4-Chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 95% | 250mg |
$401 | 2024-07-18 | |
| Crysdot LLC | CD11003026-1g |
4-Chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 95+% | 1g |
$842 | 2024-07-19 | |
| Crysdot LLC | CD11003026-5g |
4-Chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 95+% | 5g |
$2084 | 2024-07-19 | |
| Crysdot LLC | CD11003026-10g |
4-Chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 95+% | 10g |
$3076 | 2024-07-19 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBRL483-100.0mg |
4-chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 97% | 100.0mg |
¥1155.0000 | 2025-04-11 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBRL483-250.0mg |
4-chloro-5-(trifluoromethyl)pyrimidine |
958452-21-6 | 97% | 250.0mg |
¥2310.0000 | 2025-04-11 |
4-Chloro-5-(trifluoromethyl)pyrimidine Production Method
Production Method 1
Reaction Conditions
1.1 Solvents: Acetonitrile , Water ; 16 h, pH 9.5, rt → 45 °C
1.2 Reagents: Sodium chloride Solvents: Ethanol ; overnight, -20 °C
1.3 Reagents: Cesium hydroxide Catalysts: Palladate(1-), [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]chloro[2′-(dicyclohexylphos… Solvents: 1-Methoxy-2-propanol , Water ; 15 h, 80 °C
1.2 Reagents: Sodium chloride Solvents: Ethanol ; overnight, -20 °C
1.3 Reagents: Cesium hydroxide Catalysts: Palladate(1-), [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]chloro[2′-(dicyclohexylphos… Solvents: 1-Methoxy-2-propanol , Water ; 15 h, 80 °C
Reference
4-Chloro-5-(trifluoromethyl)pyrimidine Raw materials
4-Chloro-5-(trifluoromethyl)pyrimidine Preparation Products
4-Chloro-5-(trifluoromethyl)pyrimidine Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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