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
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 |
