2-chlorophenylboronic acid, pinacol ester

Product Information

Molecular Formula:
C12H16BClO2
Molecular Weight:
238.52
Description
2-Chlorophenylboronic acid, pinacol ester is used mainly as an intermediate in the development of various pharmaceuticals, particularly, in the synthesis of certain anti-inflammatory drugs. It exhibits a crucial role in organoboron chemistry, pivotal in drug discovery.
Synonyms
2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-Chlorophenylboronic acid pinacol ester; (2-chlorophenyl)boronic acid pinacol ester; 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborole
IUPAC Name
2-(2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3
InChI Key
CDVCBWQNFHAZRD-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302 - H413

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
238.0931876 g/mol
Monoisotopic Mass
238.0931876 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
252
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
WO-2022038254-A1 Organic molecules for optoelectronic devices 2020-08-21
WO-2021263278-A1 Rev-erb agonists for the treatment of th17-mediated inflammatory disorders 2020-06-23
KR-20210105559-A Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof 2020-02-19
KR-20210102667-A Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof 2020-02-12
KR-20210101554-A Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof 2020-02-10
KR-20210069770-A Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof 2019-12-03
WO-2019201283-A1 Dual atm and dna-pk inhibitors for use in anti-tumor therapy 2018-04-20
AU-2019254980-A1 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 2018-04-20
CN-112469720-A Dual ATM and DNA-PK inhibitors for use in antitumor therapy 2018-04-20
EP-3784671-A1 Dual atm and dna-pk inhibitors for use in anti-tumor therapy 2018-04-20
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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