4-(Difluoromethoxy)-3-fluorophenylboronic Acid Pinacol Ester - CAS 1162262-35-2
Catalog: |
BB003728 |
Product Name: |
4-(Difluoromethoxy)-3-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1162262-35-2 |
Synonyms: |
2-[4-(difluoromethoxy)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[4-(difluoromethoxy)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[4-(difluoromethoxy)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-(Difluoromethoxy)-3-fluorophenylboronic Acid Pinacol Ester (CAS# 1162262-35-2) is used as a reagent in the preparation of imidazopyrazine derivatives as antibacterials. |
Molecular Weight: | 288.07 |
Molecular Formula: | C13H16F3O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC(F)F)F |
InChI: | InChI=1S/C13H16BF3O3/c1-12(2)13(3,4)20-14(19-12)8-5-6-10(9(15)7-8)18-11(16)17/h5-7,11H,1-4H3 |
InChI Key: | NYRSHQCHDLSCNW-UHFFFAOYSA-N |
LogP: | 2.72630 |
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-2020392113-A1 | Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators | 20190614 |
WO-2020249802-A1 | Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators | 20190614 |
US-2019308950-A1 | Substituted pyridine and pyrimidines and their use as glun2b receptor modulators | 20180404 |
WO-2019193516-A2 | Substituted pyridine and pyrimidines and their use as glun2b receptor modulators | 20180404 |
EP-3774732-A2 | Substituted pyridine and pyrimidines and their use as glun2b receptor modulators | 20180404 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.1144590 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.1144590 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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