4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic Acid Pinacol Ester - CAS 1045795-70-7
Catalog: |
BB001413 |
Product Name: |
4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1045795-70-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoic acid methyl ester; methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate |
Description: | 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic Acid Pinacol Ester (CAS# 1045795-70-7) is a useful research chemical. |
Molecular Weight: | 330.11 |
Molecular Formula: | C15H18F3O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)C(F)(F)F |
InChI: | InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)9-6-7-10(12(20)21-5)11(8-9)15(17,18)19/h6-8H,1-5H3 |
InChI Key: | FKZBIAASSSCFDM-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.79120 |
Publication Number | Title | Priority Date |
CN-112812114-A | Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative | 20191115 |
WO-2020114307-A1 | Isoxazole derivative, preparation method therefor and use thereof | 20181207 |
CN-112805279-A | Isoxazole derivative and preparation method and application thereof | 20181207 |
CN-111263759-A | Isoxazole derivative and preparation method and application thereof | 20171222 |
EP-3730491-A1 | Isoxazole derivative, preparation method therefor, and use thereof | 20171222 |
Complexity: | 448 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.1250237 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.1250237 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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