3,3,5,5-Tetramethyl-1-cyclohexene-1-boronic Acid Pinacol Ester - CAS 859217-85-9
Catalog: |
BB037773 |
Product Name: |
3,3,5,5-Tetramethyl-1-cyclohexene-1-boronic Acid Pinacol Ester |
CAS: |
859217-85-9 |
Synonyms: |
4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethyl-1-cyclohexenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethylcyclohexen-1-yl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(3,3,5,5-tetramethylcyclohexen-1-yl)-1,3,2-dioxaborolane |
Description: | 3,3,5,5-Tetramethyl-1-cyclohexene-1-boronic Acid Pinacol Ester (CAS# 859217-85-9) is a useful research chemical. |
Molecular Weight: | 264.21 |
Molecular Formula: | C16H29O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(CC(C2)(C)C)(C)C |
InChI: | InChI=1S/C16H29BO2/c1-13(2)9-12(10-14(3,4)11-13)17-18-15(5,6)16(7,8)19-17/h9H,10-11H2,1-8H3 |
InChI Key: | XVMFBRCBEYKITB-UHFFFAOYSA-N |
Boiling Point: | 277.6 °C at 760 mmHg |
Density: | 0.93 g/cm3 |
MDL: | MFCD16659018 |
LogP: | 4.39040 |
Publication Number | Title | Priority Date |
EP-2109611-B1 | 7-azaindole derivatives and their use in the inhibition of c-jun n-terminal kinase | 20070206 |
JP-2010517981-A | 7-azaindole derivatives and their use in inhibiting c-Jun N-terminal kinase | 20070206 |
JP-5335692-B2 | 7-azaindole derivatives and their use in inhibiting c-Jun N-terminal kinase | 20070206 |
US-2010069354-A1 | 7-azaindole derivatives and their use in the inhibition of c-jun n-terminal kinase | 20070206 |
US-8178552-B2 | 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase | 20070206 |
Complexity: | 389 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.2260603 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.2260603 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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