2-Chloro-5-(trifluoromethyl)phenylboronic Acid
Product Information
Molecular Formula
C7H5ClF3O2B
Molecular Weight
224.37
Description
Reactant for: Synthesis of aryl- and hetarylfurocoumarins via Suzuki reaction; Synthesis of Et canthinone-3-carboxylates from Et 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate via a Pd-catalyzed Suzuki-Miyaura coupling and a Cu-catalyzed amidation reaction; Preparation of xanthines via one-pot coupling with diaminouracil; Pd-catalyzed Suzuki-Miyaura coupling with 8-bromo-1,5-naphthyridin-2-one. May contain varying amounts of anhydride.
Synonyms
[2-chloro-5-(trifluoromethyl)phenyl]boronic acid; [2-chloro-5-(trifluoromethyl)phenyl]boronic acid
IUPAC Name
[2-chloro-5-(trifluoromethyl)phenyl]boronic acid
SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
InChI
InChI=1S/C7H5BClF3O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChI Key
YVMXEHZEYONARR-UHFFFAOYSA-N
Boiling Point
303.2 °C at 760 mmHg
Density
1.49 g/cm3
LogP
1.03860
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
224.0023217 g/mol
Monoisotopic Mass
224.0023217 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
200
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-2021161084-A1 | N-(4-fluorophenyl)-5-phenyl-[1,2,4] triazolo [1,5-a] pyridine-2-carboxamide derivatives and their synthesis thereof | 2020-02-16 |
| CN-112574224-A | KRAS G12C inhibitor and application thereof | 2019-09-30 |
| WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 2019-09-30 |
| WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| TW-202106669-A | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| AU-2020266529-A1 | 3-amino-4H-benzo[E][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of MRGX2 | 2019-04-29 |
| CA-3137584-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| CN-114072393-A | 3-amino-4H-benzo [ E ] [1,2,4] thiadiazine 1, 1-dioxide derivatives as MRGX2 inhibitors | 2019-04-29 |
| EP-3962901-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
| KR-20220012244-A | 3-Amino-4H-benzo[E][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of MRGX2 | 2019-04-29 |
