5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine - CAS 1351234-12-2
Catalog: |
BB008080 |
Product Name: |
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine |
CAS: |
1351234-12-2 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine |
Description: | 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyrimidine (CAS# 1351234-12-2) is used as a reactant in the preparation of aromatic sulfonamide derivatives as inhibitors of P2X4. |
Molecular Weight: | 304.076 |
Molecular Formula: | C12H16BF3N2O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OCC(F)(F)F |
InChI: | InChI=1S/C12H16BF3N2O3/c1-10(2)11(3,4)21-13(20-10)8-5-17-9(18-6-8)19-7-12(14,15)16/h5-6H,7H2,1-4H3 |
InChI Key: | UUQOITROLSGZDD-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3458443-A1 | Aromatic sulfonamide derivatives | 20160503 |
US-2019119210-A1 | Aromatic sulfonamide derivatives | 20160503 |
WO-2017191000-A1 | Aromatic sulfonamide derivatives | 20160503 |
WO-2017191000-A9 | AROMATIC SULFONAMIDE DERIVATIVES | 20160503 |
EP-3458443-B1 | Aromatic sulfonamide derivatives | 20160503 |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.120607 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.120607 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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