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
Canonical 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 ℃ at 760 mmHg
Melting Point
114-116 ℃ (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.31 g/cm3
Storage
Inert atmosphere, Store in freezer, under -20 ℃
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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