4,4-Dimethylcyclohexene-1-boronic Acid Pinacol Ester - CAS 859217-67-7
Catalog: |
BB037772 |
Product Name: |
4,4-Dimethylcyclohexene-1-boronic Acid Pinacol Ester |
CAS: |
859217-67-7 |
Synonyms: |
2-(4,4-dimethyl-1-cyclohexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4,4-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(4,4-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4,4-Dimethylcyclohexene-1-boronic Acid Pinacol Ester (CAS# 859217-67-7) is a useful research chemical. |
Molecular Weight: | 236.16 |
Molecular Formula: | C14H25O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)(C)C |
InChI: | InChI=1S/C14H25BO2/c1-12(2)9-7-11(8-10-12)15-16-13(3,4)14(5,6)17-15/h7H,8-10H2,1-6H3 |
InChI Key: | JQEUELMRQYUNDS-UHFFFAOYSA-N |
Boiling Point: | 255.024 °C at 760 mmHg |
Density: | 0.941 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD08690233 |
LogP: | 3.75430 |
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 |
WO-2021175200-A1 | Ferroptosis inhibitorsâ€"diarylamine para-acetamides | 20200302 |
WO-2020128768-A1 | N-(pyridin-2-ylsulfonyl)cyclopropanecarboxamide derivatives and their use in the treatment of a cftr mediated disease | 20181218 |
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US-2020148663-A1 | Substituted isoindolinones | 20181113 |
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Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1947602 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1947602 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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