2,2-Dimethylethenylboronic Acid
Product Information
Molecular Formula
C4H9O2B
Molecular Weight
99.92
Description
2,2-Dimethylethenylboronic Acid (CAS# 14559-88-7) is a useful reagent in the preparation of prostaglandins via 1,4-conjugate addition.
Synonyms
2-methylprop-1-enylboronic acid; 2-methylprop-1-enylboronic acid
IUPAC Name
2-methylprop-1-enylboronic acid
SMILES
B(C=C(C)C)(O)O
InChI
InChI=1S/C4H9BO2/c1-4(2)3-5(6)7/h3,6-7H,1-2H3
InChI Key
FWJRSOGVYOIVOC-UHFFFAOYSA-N
Boiling Point
190.6 °C at 760 mmHg
Flash Point
Not applicable
Density
0.952 g/cm3
LogP
-0.03540
Safety Information
Precautionary Statement
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
100.0695597 g/mol
Monoisotopic Mass
100.0695597 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
73.8
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-114075054-A | Dispersant for oil well cement and cement composition | 2020-08-14 |
| WO-2021249324-A1 | Alkenyl pyrimidine compound, preparation method therefor, and application thereof | 2020-06-08 |
| CN-111560017-A | Dipeptide mimetic based on azabicyclo [ X, Y, 0] alkanone framework and preparation method thereof | 2020-05-25 |
| CN-111560017-B | Dipeptide mimetic based on azabicyclo [ X, Y, 0] alkanone framework and preparation method thereof | 2020-05-25 |
| WO-2021204884-A1 | 3-(4-alkenyl-phenyl)-3-pyrrolin-2-ones and their use as herbicides | 2020-04-09 |
| WO-2020185738-A1 | Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders | 2019-03-11 |
| AU-2020234788-A1 | Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders | 2019-03-11 |
| CA-3133070-A1 | Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders | 2019-03-11 |
| EP-3938340-A1 | Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders | 2019-03-11 |
| KR-20210137134-A | Heteroaromatic and Heterobicyclic Aromatic Derivatives for Treatment of Peroptosis-Related Disorders | 2019-03-11 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 17407360 | 2007-04-27 | Regioselective alkenylation of aromatic ketones with alkenylboronates using a RuH2(CO)(PPh3)3 catalyst via carbon-hydrogen bond cleavage | The Journal of organic chemistry |
| 7303 | 1976-06-22 | A 1,2,3,4-tetrahydroxy pentane-substituted pentacyclic triterpene from Bacillus acidocaldarius | Biochimica et biophysica acta |
