5-Methoxy-3-pyridineboronic Acid Pinacol Ester - CAS 445264-60-8
Catalog: |
BB025633 |
Product Name: |
5-Methoxy-3-pyridineboronic Acid Pinacol Ester |
CAS: |
445264-60-8 |
Synonyms: |
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 5-Methoxy-3-pyridineboronic acid pinacol ester can be used: To synthesize anthracene based bis-pyridine ligand (L), which is employed in the preparation of fluorescent M2L4 type capsules (M= Pt, Zn, Pd, Cu, Ni, Co, and Mn); As a starting material in the synthesis of pyridylmethyl pyridine derivatives as potent 11β-hydroxylase (CPY11B1) inhibitors. |
Molecular Weight: | 235.09 |
Molecular Formula: | C12H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OC |
InChI: | InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9/h6-8H,1-5H3 |
InChI Key: | HENXUFOAGXNWKH-UHFFFAOYSA-N |
Boiling Point: | 346.3 °C at 760 mmHg |
Melting Point: | 100-108 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.06 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03412068 |
LogP: | 1.38940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111808057-A | Suzuki reaction using alpha-O-alkenylsulfone as electrophile and use thereof | 20190410 |
CN-111808089-A | Preparation method of drug eprogliflozin for treating diabetes or derivative thereof | 20190410 |
EP-3885348-A1 | Novel tricyclic compound as irak4 inhibitor | 20181121 |
US-2020039945-A1 | Compounds | 20180620 |
WO-2019243491-A1 | Compounds | 20180620 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.1379736 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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