2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester - CAS 1610705-51-5
Catalog: |
BB011696 |
Product Name: |
2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester |
CAS: |
1610705-51-5 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinecarboxylic acid methyl ester; methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate |
IUPAC Name: | methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate |
Description: | 2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester (CAS# 1610705-51-5) is a useful research chemical. |
Molecular Weight: | 264.09 |
Molecular Formula: | C12H17N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C(=O)OC |
InChI: | InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-6-14-9(15-7-8)10(16)17-5/h6-7H,1-5H3 |
InChI Key: | OMKFGJOPZQLNCN-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3412669-A1 | Tricyclic compound for bromodomain-containing protein inhibitor and preparation, pharmaceutical composition, and application thereof | 20160205 |
US-2019040063-A1 | Tricyclic compound for bromodomain-containing protein inhibitor and preparation pharmaceutical composition, and application thereof | 20160205 |
WO-2017133681-A1 | Tricyclic compound for bromodomain-containing protein inhibitor and preparation, pharmaceutical composition, and application thereof | 20160205 |
AU-2013347539-A1 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | 20121116 |
EP-2920172-B1 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | 20121116 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.1281372 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.1281372 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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