4-Carboxyphenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C13H17O4B
Molecular Weight:
248.08
Description
4-Carboxyphenylboronic Acid Pinacol Ester (CAS# 180516-87-4) is a useful research chemical.
Synonyms
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key
IYDKBQIEOBXLTP-UHFFFAOYSA-N
Melting Point
228-231 °C (lit.)
Flash Point
Not applicable
Purity
97 %
LogP
1.68400

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
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
248.1219892 g/mol
Monoisotopic Mass
248.1219892 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
316
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-112552431-A Preparation method of pinacol ester protected boric acid functional base material 2020-12-10
CN-112285087-A Preparation of ultra-sensitive high-fidelity SERS sensor based on Au-Se interface and application of sensor in quantitative detection of biological small molecules 2020-09-18
WO-2022040293-A1 Substituted heteroaryl compounds useful as inhibitors of tlr9 2020-08-19
WO-2021256569-A1 Condensed ring compounds that inhibit h-pgds 2020-06-19
WO-2021194326-A1 Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators 2020-03-27
JP-2021119120-A Aromatic cyclic compounds and methods for producing them 2020-01-30
CN-111134409-A Self-adaptive clothes 2020-01-21
CN-113978071-A Multilayer structure assembly 2020-01-21
CN-113997650-A Multilayer structure assembly with force-induced responsiveness 2020-01-21
CN-111072655-A Triazole pyridine compound, preparation method thereof, medicinal composition and application 2019-12-30
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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