Cas no 57054-94-1 (5-bromo-4-(tert-butoxy)-2-chloropyrimidine)
5-Bromo-4-(tert-butoxy)-2-chloropyrimidine is a halogenated pyrimidine derivative with a tert-butoxy substituent, offering versatility as a key intermediate in organic synthesis and pharmaceutical development. Its bromo and chloro functional groups enable selective cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, facilitating the construction of complex heterocyclic frameworks. The tert-butoxy group enhances steric and electronic modulation, improving reactivity in nucleophilic substitution or metal-catalyzed transformations. This compound is particularly valuable in medicinal chemistry for the design of bioactive molecules, given its potential as a scaffold for kinase inhibitors or antiviral agents. High purity and stability under standard storage conditions ensure consistent performance in synthetic applications.
57054-94-1 structure
Product Name:5-bromo-4-(tert-butoxy)-2-chloropyrimidine
CAS No:57054-94-1
MF:C8H10BrClN2O
MW:265.534800052643
MDL:MFCD08690696
CID:346753
PubChem ID:15620529
Update Time:2025-05-28
5-bromo-4-(tert-butoxy)-2-chloropyrimidine Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 5-bromo-2-chloro-4-(1,1-dimethylethoxy)-
- 5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyrimidine
- 5-bromo-4-(tert-butoxy)-2-chloropyrimidine
- 57054-94-1
- AKOS017558700
- DTXSID60575885
- 5-Bromo-4-tert-butoxy-2-chloropyrimidine
- EN300-193630
-
- MDL： MFCD08690696
- Inchi： 1S/C8H10BrClN2O/c1-8(2,3)13-6-5(9)4-11-7(10)12-6/h4H,1-3H3
- InChI Key： QPGJQUSNGCJOGE-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(N=C1OC(C)(C)C)Cl
Computed Properties
- Exact Mass: 263.9666
- Monoisotopic Mass: 263.96650g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 174
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 35?2
Experimental Properties
- PSA: 35.01
5-bromo-4-(tert-butoxy)-2-chloropyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-193630-1g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 1g |
$785.0 | 2023-09-17 | ||
| Enamine | EN300-193630-5g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 5g |
$2277.0 | 2023-09-17 | ||
| Enamine | EN300-193630-10g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 10g |
$3376.0 | 2023-09-17 | ||
| Chemenu | CM426793-250mg |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 95%+ | 250mg |
$379 | 2023-02-02 | |
| Chemenu | CM426793-500mg |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 95%+ | 500mg |
$680 | 2023-02-02 | |
| Chemenu | CM426793-1g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 95%+ | 1g |
$865 | 2023-02-02 | |
| Enamine | EN300-193630-0.05g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 0.05g |
$182.0 | 2023-09-17 | ||
| Enamine | EN300-193630-0.1g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 0.1g |
$272.0 | 2023-09-17 | ||
| Enamine | EN300-193630-0.25g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 0.25g |
$389.0 | 2023-09-17 | ||
| Enamine | EN300-193630-0.5g |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine |
57054-94-1 | 0.5g |
$613.0 | 2023-09-17 |
5-bromo-4-(tert-butoxy)-2-chloropyrimidine Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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