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
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 |
