6-(Difluoromethoxy)pyridine-3-boronic Acid Pinacol Ester - CAS 1333222-12-0
Catalog: |
BB007732 |
Product Name: |
6-(Difluoromethoxy)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1333222-12-0 |
Synonyms: |
2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 6-(Difluoromethoxy)pyridine-3-boronic Acid Pinacol Ester (CAS# 1333222-12-0) is a useful research chemical. |
Molecular Weight: | 271.07 |
Molecular Formula: | C12H16F2NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC(F)F |
InChI: | InChI=1S/C12H16BF2NO3/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(16-7-8)17-10(14)15/h5-7,10H,1-4H3 |
InChI Key: | IUBRIOQSSWUJOP-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.98220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2019238633-A1 | New isoxazolyl ether derivatives as gaba a alpha5 pam | 20180613 |
TW-202016106-A | Novel isoxazolate derivatives as GABA-Aα5 forward ectopic regulator (PAM) | 20180613 |
AU-2019286312-A1 | New isoxazolyl ether derivatives as GABA A alpha5 PAM | 20180613 |
BR-112020025355-A2 | ISOXAZOLYL Ether DERIVATIVES AS GABA TO ALFA5 PAM | 20180613 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.1191299 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.1191299 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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