3-Benzyloxyphenylboronic Acid
Product Information
Molecular Formula
C13H13O3B
Molecular Weight
228.05
Description
Reactant for: Microwave Suzuki-Miyaura coupling; Preparation of palladium-based fluoride-derived electrophilic fluorination reagent for PET imaging agents; Synthesis of substituted isoindolines via palladium-catalyzed cascade reaction; Ruthenium-catalyzed hydrogenation; Suzuki coupling reactions.
Synonyms
(3-phenylmethoxyphenyl)boronic acid; (3-phenylmethoxyphenyl)boronic acid
IUPAC Name
(3-phenylmethoxyphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C13H13BO3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9,15-16H,10H2
InChI Key
WIJNYNBSPQMJGO-UHFFFAOYSA-N
Melting Point
125-130 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Appearance
White to tan to light orange crystalline powder or powder
LogP
0.94540
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
228.0957744 g/mol
Monoisotopic Mass
228.0957744 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
217
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-112574216-B | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| WO-2021097054-A1 | 6-membered heteroarylaminosulfonamides for treating diseases and conditions mediated by deficient cftr activity | 2019-11-12 |
| WO-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 2019-11-12 |
| CN-110204518-A | A kind of preparation method of 2,5- diaryl furan compound | 2019-06-11 |
| WO-2020158840-A1 | Anti-cancer agent | 2019-01-30 |
| JP-2020120649-A | Cell growth composition | 2019-01-30 |
| WO-2020067477-A1 | Additive for medium for promoting production of paracrine factor | 2018-09-28 |
| TW-202028456-A | Medium additive for promoting generation of paracrine factor | 2018-09-28 |
