4-Ethoxycarbonylphenylboronic acid
Product Information
Molecular Formula
C9H11BO4
Molecular Weight
193.99
Description
4-Ethoxycarbonylphenylboronic acid is used as a reactant in the oxidation of phenol hydroxylation reaction, hydrolysis are aromatic, suzuki - with quinoline carboxylic acid ester coupling reaction, etc.
Synonyms
4-Borono-benzoic Acid 1-Ethyl Ester; p-Borono-benzoic Acid 1-Ethyl Ester; 4-Carboethoxybenzeneboronic Acid; Ethyl 4-Boronobenzoate; MFCD02179441; p-ethoxycarbonylphenylboronic acid; Benzoic acid, 4-borono-, 1-ethyl ester; SCHEMBL5122; KSC489M1F; (4-Ethoxycarbonylphenyl)Boronic Acid; (4-(ethoxycarbonyl)phenyl)boronic acid
IUPAC Name
(4-ethoxycarbonylphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)C(=O)OCC)(O)O
InChI
InChI=1S/C9H11BO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key
ZLNFACCFYUFTLD-UHFFFAOYSA-N
Boiling Point
355.5±44.0 °C (Predicted)
Melting Point
184-189 °C
Flash Point
Not applicable
Purity
> 98 % (HPLC)
Density
1.210±0.10 g/cm3 (Predicted)
Appearance
White to gray powder
Storage
2-8 °C
LogP
-0.45690
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
4
Rotatable Bond Count
4
Exact Mass
194.0750390 g/mol
Monoisotopic Mass
194.0750390 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
187
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-113004170-A | Covalent macrocyclic polymer based on column [5] arene and preparation and application thereof | 2021-03-05 |
| WO-2022026372-A2 | Processes for preparing modulators of alpha-1 antitrypsin | 2020-07-27 |
| WO-2021256569-A1 | Condensed ring compounds that inhibit h-pgds | 2020-06-19 |
| WO-2021243421-A1 | Dual kinase-bromodomain inhibitors | 2020-06-05 |
| CN-113527022-A | Asymmetric polysulfide compound and its synthesis method and use | 2020-04-21 |
| WO-2021203025-A1 | 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 2020-04-03 |
| CN-111253774-A | Dithienopyrrole functional dye containing phenoxy long carbon chain and application thereof | 2020-03-25 |
| CN-113493433-A | Benzopyrone derivative capable of being used as GPR35 receptor agonist, preparation method and application thereof | 2020-03-18 |
| CN-111393336-A | Sulfonamide compound, and metal-free catalysis construction method and application thereof | 2020-03-09 |
| US-2021260036-A1 | Methods of treatment for alpha-1 antitrypsin deficiency | 2020-01-30 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 7305 | 1976-05-20 | Studies on camel hemoglobin. 1. Physico-chemical properties and some structural aspects of camel hemoglobin (Camelus dromedarius) | Biochimica et biophysica acta |
