(E)-3-Methoxy-1-propenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C10H19O3B
Molecular Weight:
198.07
Description
(E)-3-Methoxy-1-propenylboronic Acid Pinacol Ester (CAS# 165059-42-7) is a useful research chemical.
Synonyms
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C=CCOC
InChI
InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-7H,8H2,1-5H3/b7-6+
InChI Key
FBAOFKFCKHJXRU-VOTSOKGWSA-N
Boiling Point
229-230 °C (lit.)
Flash Point
214.0 °F - closed cup
Purity
95 %
Density
0.933 g/mL at 25 °C (lit.)
Refractive Index
n20/D 1.4430 (lit.)
LogP
1.82040

Safety Information

Hazards
H315 - H319 - H335
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

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
198.1427246 g/mol
Monoisotopic Mass
198.1427246 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
207
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021219849-A1 Azetidin-3-ylmethanol derivatives as ccr6 receptor modulators 2020-04-30
WO-2021127499-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-12-18
WO-2021083380-A1 Eed inhibitor, and preparation method therefor and use thereof 2019-11-01
BR-112020026086-A2 protein tyrosine phosphatase inhibitors and methods of using these 2018-06-21
IL-279587-D0 Tyrosine phosphate protein suppressants and methods of using them 2018-06-21
US-10954202-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof 2018-06-21
US-2021009542-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2018-06-21
CN-112955438-A Protein tyrosine phosphatase inhibitors and methods of use thereof 2018-06-21
AU-2018345221-A1 Nitrogen-containing heteroaryl compound, and pharmaceutical use thereof 2017-10-04
CN-111148735-A Nitrogen-containing heteroaryl compounds and pharmaceutical uses thereof 2017-10-04
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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