4-(Ethoxycarbonyl)cyclohexene-1-boronic Acid Pinacol Ester - CAS 1049004-32-1
Catalog: |
BB001510 |
Product Name: |
4-(Ethoxycarbonyl)cyclohexene-1-boronic Acid Pinacol Ester |
CAS: |
1049004-32-1 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohex-3-enecarboxylic acid ethyl ester; ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate |
IUPAC Name: | ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate |
Description: | 4-(Ethoxycarbonyl)cyclohexene-1-boronic Acid Pinacol Ester (CAS# 1049004-32-1) is a useful research chemical. |
Molecular Weight: | 280.17 |
Molecular Formula: | C15H25O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(=O)OCC |
InChI: | InChI=1S/C15H25BO4/c1-6-18-13(17)11-7-9-12(10-8-11)16-19-14(2,3)15(4,5)20-16/h9,11H,6-8,10H2,1-5H3 |
InChI Key: | ZREZDODZGZVRBD-UHFFFAOYSA-N |
Density: | 1.03 g/cm3 |
LogP: | 2.90740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021300912-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021099793-A1 | 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors | 20191120 |
CN-112142747-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 20190628 |
WO-2020251971-A1 | Smarca degraders and uses thereof | 20190610 |
WO-2020251972-A1 | Smarca degraders and uses thereof | 20190610 |
Complexity: | 398 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.1845894 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.1845894 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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