2-Benzofuranboronic Acid
Product Information
Molecular Formula
C8H7O3B
Molecular Weight
161.95
Description
2-Benzofuranboronic Acid (CAS# 98437-24-2) is a reagent used in the facile preparation of highly-functionalized, nitrogen-bearing diarylmethanes.
Synonyms
2-benzofuranylboronic acid; 1-benzofuran-2-ylboronic acid
IUPAC Name
1-benzofuran-2-ylboronic acid
SMILES
B(C1=CC2=CC=CC=C2O1)(O)O
InChI
InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
InChI Key
PKRRNTJIHGOMRC-UHFFFAOYSA-N
Boiling Point
340.4 °C at 760 mmHg
Melting Point
114-116 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.31 g/cm3
Storage
Inert atmosphere, Store in freezer, under -20 °C
LogP
0.11260
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
162.0488242 g/mol
Monoisotopic Mass
162.0488242 g/mol
Topological Polar Surface Area
53.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
162
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-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 2021-06-08 |
| CN-112979715-A | Metal complex, organic electroluminescent material, organic electroluminescent element, and electroluminescent device | 2021-03-01 |
| 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 |
| CN-112266387-A | Benzophenanthrene derivative and application thereof | 2020-10-29 |
| WO-2022031772-A1 | Therapeutic composition of cure-pro compounds for targeted degradation of bet domain proteins, and methods of making and usage | 2020-08-07 |
| WO-2022031774-A2 | Therapeutic cure-pro compounds for targeted degradation of bet domain proteins, and methods of making and using them | 2020-08-07 |
| WO-2022031777-A2 | Therapeutically useful cure-pro molecules for e3 ligase mediated degradation of proteins, and methods of making and using them | 2020-08-07 |
| KR-20220018307-A | Novel compound and organic light emitting device comprising the same | 2020-08-06 |
| CN-113354651-A | Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines | 2020-07-30 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21936546 | 2011-11-04 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
| 18983140 | 2008-11-27 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
