4-Amino-3-methoxycarbonylphenylboronic Acid Pinacol Ester - CAS 363185-87-9
Catalog: |
BB022937 |
Product Name: |
4-Amino-3-methoxycarbonylphenylboronic Acid Pinacol Ester |
CAS: |
363185-87-9 |
Synonyms: |
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 4-Amino-3-methoxycarbonylphenylboronic Acid Pinacol Ester (CAS# 363185-87-9) is a useful research chemical. |
Molecular Weight: | 277.12 |
Molecular Formula: | C14H20NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)C(=O)OC |
InChI: | InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11(16)10(8-9)12(17)18-5/h6-8H,16H2,1-5H3 |
InChI Key: | DQZPCTKBZUCRNT-UHFFFAOYSA-N |
Boiling Point: | 404 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
Appearance: | White powder |
MDL: | MFCD16293749 |
LogP: | 1.93580 |
Publication Number | Title | Priority Date |
WO-2020080979-A1 | Pfkfb3 inhibitors and their uses | 20181015 |
EP-3867226-A1 | Pfkfb3 inhibitors and their uses | 20181015 |
JP-2020506904-A | Thienopyranones and furanopyranones as kinases, bromodomains and checkpoint inhibitors | 20170127 |
US-2019367530-A1 | Thienopyranones and Furanopyranones as Kinase, Bromodomain, and Checkpoint Inhibitors | 20170127 |
EA-032698-B1 | 3-TETRAZOLYL-BENZENE-1,2-DISULPHONAMIDE DERIVATIVES AS METAL-β-LACTAMASE INHIBITORS | 20150626 |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.1485383 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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