2-(Methoxycarbonyl)benzeneboronic Acid

Product Information

Molecular Formula:
C8H9O4B
Molecular Weight:
179.97
Description
2-(Methoxycarbonyl)benzeneboronic Acid (CAS# 374538-03-1) is a useful research chemical.
Synonyms
(2-methoxycarbonylphenyl)boronic acid; (2-methoxycarbonylphenyl)boronic acid
IUPAC Name
(2-methoxycarbonylphenyl)boronic acid
Canonical SMILES
B(C1=CC=CC=C1C(=O)OC)(O)O
InChI
InChI=1S/C8H9BO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5,11-12H,1H3
InChI Key
ODAXNYMENLFYMY-UHFFFAOYSA-N
Boiling Point
359 °C at 760 mmHg
Melting Point
102-107 °C
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.25 g/cm3
LogP
-0.84700

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
4
Rotatable Bond Count
3
Exact Mass
180.0593889 g/mol
Monoisotopic Mass
180.0593889 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
183
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-113336735-A Urolithin compound, preparation method, pharmaceutical composition and application 2021-06-08
CN-113278037-A Metal compound, organic electroluminescent element and consumer product 2021-06-04
CN-113321659-A Organic electroluminescent material and device thereof 2021-05-27
CN-113121584-A Heterocyclic compound and organic electroluminescent device comprising same 2021-03-30
CN-112094168-A Deuterated fluorene compound and light-emitting device thereof 2020-09-29
CN-112094170-A Fluorene compound and light emitting device thereof 2020-09-29
CN-111807942-A Preparation method of polysubstituted indanone derivative 2020-08-05
CN-113943288-A 5, 6-dihydropyrazino [2,3-c ] isoquinoline compounds 2020-07-17
WO-2022012593-A1 5,6-dihydropyrazino[2,3-c]isoquinoline compound 2020-07-17
CN-111269075-A Efficient synthesis method of 2, 3-indanones 2020-04-07

Literatures

PMID Publication Date Title Journal
17867697 2007-10-11 Palladium(II)-catalyzed annulation of alkynes with ortho-ester-containing phenylboronic acids Organic letters
16679610 2006-05-01 2-(Methoxycarbonyl)phenylboronic acid Acta crystallographica. Section C, Crystal structure communications
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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