(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
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 |
