2-(4-Methylsulfonylcyclohex-1-enyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane - CAS 862129-71-3
Catalog: |
BB075838 |
Product Name: |
2-(4-Methylsulfonylcyclohex-1-enyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane |
CAS: |
862129-71-3 |
Synonyms: |
4,4,5,5-Tetramethyl-2-(4-(methylsulfonyl)cyclohex-1-en-1-yl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(4-methylsulfonylcyclohexen-1-yl)-1,3,2-dioxaborolane |
Description: | 2-(4-Methylsulfonylcyclohex-1-enyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane is a reactant used in the preparation of piperidine derivatives as selective estrogen receptor modulators (SERMs) for the potential treatment of uterine fibroids. |
Molecular Weight: | 286.2 |
Molecular Formula: | C13H23BO4S |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)S(=O)(=O)C |
InChI: | InChI=1S/C13H23BO4S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6,11H,7-9H2,1-5H3 |
InChI Key: | SRPUOWRTMIEPTA-UHFFFAOYSA-N |
References: | Bichardson, T.I., et. al. Bioorg. Med. Chem. Lett., 17, 3544 (2007). |
Complexity: | 471 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.1410106 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.1410106 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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