2-Aminopyridine-5-boronic Acid Pinacol Ester - CAS 827614-64-2
Catalog: |
BB036901 |
Product Name: |
2-Aminopyridine-5-boronic Acid Pinacol Ester |
CAS: |
827614-64-2 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
Description: | Substrate used in a microwave-assisted, four-component coupling process leading to amino substituted imidazopyridines. |
Molecular Weight: | 220.08 |
Molecular Formula: | C11H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N |
InChI: | InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14) |
InChI Key: | YFTAUNOLAHRUIE-UHFFFAOYSA-N |
Boiling Point: | 146 °C / 0.3 mmHg |
Melting Point: | 131-135 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.09 g/cm3 |
MDL: | MFCD05663837 |
LogP: | 1.54420 |
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 |
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PMID | Publication Date | Title | Journal |
17253825 | 20070202 | Rapid synthesis of 3-amino-imidazopyridines by a microwave-assisted four-component coupling in one pot | The Journal of organic chemistry |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.1383080 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.1383080 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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