1,4-Dioxaspiro[4.5]-7-decene-8-boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C14H23O4B
Molecular Weight:
266.14
Description
1,4-Dioxaspiro[4.5]-7-decene-8-boronic Acid Pinacol Ester (CAS# 680596-79-6) is a useful research chemical.
Synonyms
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)OCCO3
InChI
InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3
InChI Key
JCHWHOHZZYWUMP-UHFFFAOYSA-N
Melting Point
68-73 °C
Flash Point
Not applicable
Purity
97 %
Appearance
Solid
Storage
2-8 °C
LogP
2.47120

Safety Information

Hazards
H302
Precautionary Statement
P264, P270, P301+P312, P330, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
266.1689394 g/mol
Monoisotopic Mass
266.1689394 g/mol
Topological Polar Surface Area
36.9Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
380
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113140792-A High-energy-density lithium ion battery electrolyte and application thereof 2021-03-30
US-2022056017-A1 Bicycloheptane pyrrolidine orexin receptor agonists 2020-08-18
WO-2022040070-A1 Bicycloheptane pyrrolidine orexin receptor agonists 2020-08-18
WO-2022032078-A1 Pyrazolopyridine compounds and methods of inhibiting ire1 using same 2020-08-07
WO-2022026892-A1 Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers 2020-07-31
WO-2022007921-A1 Triazine compound and composition and use thereof 2020-07-10
WO-2021219849-A1 Azetidin-3-ylmethanol derivatives as ccr6 receptor modulators 2020-04-30
US-2021299128-A1 Compounds for treating or inhibiting recurrence of acute myeloid leukemia 2020-03-16
WO-2021184154-A1 Compounds for treating or inhibiting recurrence of acute myeloid leukemia 2020-03-16
WO-2021188417-A1 Compounds for treating or inhibiting recurrence of acute myeloid leukemia 2020-03-16
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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