3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol - CAS 507462-88-6
Catalog: |
BB056652 |
Product Name: |
3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
CAS: |
507462-88-6 |
Synonyms: |
3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 4-Hydroxy-2-methoxyphenylboronic acid pinacol ester; 3-Methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol |
IUPAC Name: | 3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Description: | 3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is a useful reagent in the preparation of ethylidenedihydroindolones, that functions as potential checkpoint 1 kinase inhibitors for abrogating the G2 DNA damage checkpoint arrest. |
Molecular Weight: | 250.09 |
Molecular Formula: | C13H19BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)O)OC |
InChI: | InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)10-7-6-9(15)8-11(10)16-5/h6-8,15H,1-5H3 |
InChI Key: | XUOPECWWIDEMRR-UHFFFAOYSA-N |
References: | Lin, N., et al. Bioorg. Med. Chem. Lett., 16, 421 (2006). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2016075911-A | Optical materials, optical elements | 20151015 |
JP-6278941-B2 | Optical materials, optical elements | 20151015 |
AU-2013302859-A1 | 1,4-disubstituted pyridazine analogs and methods for treating SMN-deficiency-related conditions | 20120813 |
EA-032005-B1 | 1,4-DESIGNED PYRIDAZIN ANALOGUES AND METHODS OF TREATMENT RELATED TO SMN DEFICIENCY CONDITIONS | 20120813 |
EP-2885288-A1 | 1,4-disubstituted pyridazine analogs and methods for treating smn-deficiency-related conditions | 20120813 |
EP-3564233-A1 | 1,4-disubstituted pyridazine analogs and methods for treating smn-deficiency-related conditions | 20120813 |
JP-2015524842-A | 1,4-disubstituted pyridazine analogs and methods for treating conditions associated with SMN deficiency | 20120813 |
JP-6190883-B2 | 1,4-disubstituted pyridazine analogs and methods for treating conditions associated with SMN deficiency | 20120813 |
KR-20150041655-A | 1,4-disubstituted pyridazine analogs and methods for treating smn-deficiency-related conditions | 20120813 |
US-10195196-B2 | 1,4-disubstituted pyridazine analogs there of and methods for treating SMN-deficiency-related conditions | 20120813 |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1376392 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1376392 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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