2-Oxo-2,3-dihydrobenzimidazole-5-boronic Acid Pinacol Ester - CAS 710348-69-9
Catalog: |
BB034297 |
Product Name: |
2-Oxo-2,3-dihydrobenzimidazole-5-boronic Acid Pinacol Ester |
CAS: |
710348-69-9 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydrobenzimidazol-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydrobenzimidazol-2-one |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydrobenzimidazol-2-one |
Description: | 2-Oxo-2,3-dihydrobenzimidazole-5-boronic Acid Pinacol Ester (CAS# 710348-69-9) is a useful research chemical. |
Molecular Weight: | 260.10 |
Molecular Formula: | C13H17N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)N3 |
InChI: | InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)8-5-6-9-10(7-8)16-11(17)15-9/h5-7H,1-4H3,(H2,15,16,17) |
InChI Key: | LQVSXEXWXILGBH-UHFFFAOYSA-N |
Boiling Point: | 304.6 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
Appearance: | Solid |
LogP: | 1.15540 |
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 |
CN-110003171-B | Small molecule reversible BTK inhibitor for treating rheumatoid arthritis | 20190412 |
WO-2020142486-A1 | Kinase inhibitor compounds and compositions and methods of use | 20181231 |
CN-113508111-A | Kinase inhibitor compounds and compositions and methods of use | 20181231 |
US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
US-2019023702-A1 | 1,8-naphthyridinone compounds and uses thereof | 20170718 |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.1332226 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.1332226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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