2-Chloro-4-(trifluoromethoxy)phenylboronic Acid - CAS 345226-20-2
Catalog: |
BB022166 |
Product Name: |
2-Chloro-4-(trifluoromethoxy)phenylboronic Acid |
CAS: |
345226-20-2 |
Synonyms: |
[2-chloro-4-(trifluoromethoxy)phenyl]boronic acid; [2-chloro-4-(trifluoromethoxy)phenyl]boronic acid |
IUPAC Name: | [2-chloro-4-(trifluoromethoxy)phenyl]boronic acid |
Description: | 2-Chloro-4-(trifluoromethoxy)phenylboronic Acid (CAS# 345226-20-2) is an intermediate used to prepare aza- and diazabiphenyl analogs of the antitubercular drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine. It is also used in the synthesis of aryl(alkylamino)nitropyridines via amination of chlorohydroxynitropyridine with aliphatic amines followed by chlorination, and Suzuki-coupling with arylboronic acids. |
Molecular Weight: | 240.37 |
Molecular Formula: | C7H5ClF3O3B |
Canonical SMILES: | B(C1=C(C=C(C=C1)OC(F)(F)F)Cl)(O)O |
InChI: | InChI=1S/C7H5BClF3O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H |
InChI Key: | ISTQXKDCRJYPFJ-UHFFFAOYSA-N |
LogP: | 0.91840 |
Publication Number | Title | Priority Date |
JP-2021509401-A | Glucolic acid oxidase inhibitor for the treatment of disease | 20171229 |
EP-3288936-A1 | Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators | 20150429 |
EP-3288936-B1 | Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators | 20150429 |
JP-2018514547-A | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 20150429 |
US-10611730-B2 | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 20150429 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9972364 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9972364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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