4-(1-Pyrrolidylsulfonyl)phenylboronic Acid Pinacol Ester - CAS 928657-21-0
Catalog: |
BB040686 |
Product Name: |
4-(1-Pyrrolidylsulfonyl)phenylboronic Acid Pinacol Ester |
CAS: |
928657-21-0 |
Synonyms: |
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpyrrolidine; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpyrrolidine |
IUPAC Name: | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpyrrolidine |
Description: | 4-(1-Pyrrolidylsulfonyl)phenylboronic Acid Pinacol Ester (CAS# 928657-21-0) is a useful research chemical compound. |
Molecular Weight: | 337.24 |
Molecular Formula: | C16H24NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
InChI: | InChI=1S/C16H24BNO4S/c1-15(2)16(3,4)22-17(21-15)13-7-9-14(10-8-13)23(19,20)18-11-5-6-12-18/h7-10H,5-6,11-12H2,1-4H3 |
InChI Key: | CGWAPBFNKZWFBE-UHFFFAOYSA-N |
Boiling Point: | 459.2 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD06795670 |
LogP: | 2.78900 |
Publication Number | Title | Priority Date |
AU-2012382373-A1 | Pyridinone and pyridazinone derivatives | 20120612 |
AU-2013274465-A1 | Pyridinone and pyridazinone derivatives | 20120612 |
CA-2875016-A1 | Pyridinone and pyridazinone derivatives | 20120612 |
EP-2858990-B1 | Pyridinone and pyridazinone derivatives | 20120612 |
MX-2014015156-A | DERIVATIVES OF PIRIDINONA AND PIRIDAZINONA. | 20120612 |
Complexity: | 513 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.1519096 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.1519096 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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