[3-(3-Hydroxypropyl)phenyl]boronic acid
Product Information
Molecular Formula
C9H13BO3
Molecular Weight
180.01
Description
[3-(3-hydroxypropyl)phenyl]boronic acid, predominantly utilized in the realm of biomedical investigations, functions as a pivotal intermediate in the synthesis of therapeutic agents tackling a plethora of malignancies. Its noteworthy attribute is its contribution to palladium-catalysed cross-coupling reactions.
Synonyms
[3-(3-HYDROXYPROPYL)PHENYL]BORONIC ACID
IUPAC Name
[3-(3-hydroxypropyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)CCCO)(O)O
InChI
InChI=1S/C9H13BO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11-13H,2,4,6H2
InChI Key
OTCBPHAZRFXGKH-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Safety Information
Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
180.0957744 g/mol
Monoisotopic Mass
180.0957744 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
141
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 |
|---|---|---|
| EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
| CN-111146496-A | Polymer electrolyte and lithium ion battery containing same | 2019-12-23 |
| CN-111146496-B | Polymer electrolyte and lithium ion battery containing same | 2019-12-23 |
| WO-2020123395-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
| TW-202039487-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
| AU-2019395338-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 2018-12-10 |
| BR-112021010842-A2 | 2-Oxoquinazoline Derivatives as Methionine Adenosyltransferase 2a Inhibitors | 2018-12-10 |
| CA-3121236-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
| CN-113166078-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 2018-12-10 |
| EP-3894396-A1 | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 2018-12-10 |
