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
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 |
