trans-1-Propenylboronic acid pinacol ester
Product Information
Molecular Formula
C9H17BO2
Molecular Weight
168.04
Description
trans-1-Propenylboronic acid pinacol ester is an indispensable compound in the biomedical sector. Its application include pharmaceutical synthesis and organic compound formation. Notably, its employment as a fundamental unit for disease-targeting drug construction, with emphases on combating cancer, diabetes, and inflammation, merits recognition.
Synonyms
trans-1-Propeneboronic acid pinacol ester,trans-2-(1-Propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C=CC
InChI
InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H,1-5H3/b7-6+
InChI Key
COPMASWDWLENMV-VOTSOKGWSA-N
Flash Point
127.9 °F
Purity
97%
Density
0.881 g/mL at 25 °C
Refractive Index
n20/D 1.433
Safety Information
Hazards
H226
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
168.1321599 g/mol
Monoisotopic Mass
168.1321599 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
181
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-2021146370-A1 | Map4k1 inhibitors | 2020-01-15 |
| WO-2021032088-A1 | Method for preparing l-erythrobiopterin compound | 2019-08-19 |
| CN-112390800-A | Preparation method of L-erythro biopterin compound | 2019-08-19 |
| CN-112390800-B | Preparation method of L-erythro biopterin compound | 2019-08-19 |
| WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
| TW-202116754-A | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
| WO-2020059824-A1 | Boron-containing conjugated polyene compound, method for producing same, and method for producing conjugated polyene compound | 2018-09-19 |
| BR-112020012476-A2 | small molecule modulators of the keap1 btb domain | 2017-12-22 |
| CN-111491922-A | Small molecule modulators of the BTB domain of Keap1 | 2017-12-22 |
| US-2021094931-A1 | Small molecule modulators of the btb domain of keap1 | 2017-12-22 |
