trans-1-Propene-1-boronic Acid
Product Information
Molecular Formula
C3H7O2B
Molecular Weight
85.90
Description
Reactant for: Palladium-phosphine-catalyzed Suzuki-Miyaura coupling reactions; Cu(II)-mediated Ullmann-type coupling. Reactant for preparation of: Alkynylphenoxyacetic acids as DP2 receptor antagonists for treatment of allergic inflammatory diseases; Tetrahydrobenzothiophenes as conformationally restricted enol-mimic inhibitors of type II dehydroquinase via Paal-Knorr synthesis involving Suzuki coupling; Highly substituted benzannulated cyclooctanol derivatives by samarium diiodide-mediated cyclization; Stereospecific dienes via nickel-catalyzed three-component reductive coupling with alkynes and enones Reactant for; Palladium-phosphine-catalyzed Suzuki-Miyaura coupling reactions ; Cu(II)-mediated Ullmann-type coupling ; Palladium-catalyzed Sonogashira cross-coupling Reactant for preparation of; Alkynylphenoxyacetic acids as DP2 receptor antagonists for treatment of allergic inflammatory diseases ; Tetrahydrobenzothiophenes as conformationally restricted enol-mimic inhibitors of type II dehydroquinase via Paal-Knorr synthesis involving Suzuki coupling ; Highly substituted benzannulated cyclooctanol derivatives by samarium diiodide-mediated cyclization ; Stereospecific dienes via nickel-catalyzed three-component reductive coupling with alkynes and enones.
Synonyms
[(E)-prop-1-enyl]boronic acid; [(E)-prop-1-enyl]boronic acid
IUPAC Name
[(E)-prop-1-enyl]boronic acid
SMILES
B(C=CC)(O)O
InChI
InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2+
InChI Key
CBMCZKMIOZYAHS-NSCUHMNNSA-N
Boiling Point
175.6 °C at 760 mmHg
Melting Point
123-127 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
0.969 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
-0.42550
Safety Information
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
86.0539096 g/mol
Monoisotopic Mass
86.0539096 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
50.8
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 |
|---|---|---|
| JP-2022021687-A | Method for Producing N-Substituted (Meta) Acrylamide | 2020-07-22 |
| WO-2021247774-A1 | Gel for use in gastrointestinal endoscopy and endodermal, epidermal, and other mucosal uses | 2020-06-02 |
| WO-2021160087-A1 | Quinolyl phosphine oxide compound, and composition and application thereof | 2020-02-14 |
| WO-2021126970-A1 | Sequential targeting in crosslinking nano-theranostics for treating brain tumors | 2019-12-17 |
| US-2021107901-A1 | Bicyclic amines as cdk2 inhibitors | 2019-10-11 |
| WO-2021072232-A1 | Bicyclic amines as cdk2 inhibitors | 2019-10-11 |
| 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-2021026672-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 2019-08-09 |
