2,4-Bis(trifluoromethyl)phenylboronic acid
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2,4-Bis(trifluoromethyl)phenylboronic acid
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CAS No:
153254-09-2
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Formula:
C8H5BF6O2
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Chemical Name:
2,4-Bis(trifluoromethyl)phenylboronic acid
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Synonyms:
Boronic acid,B-[2,4-bis(trifluoromethyl)phenyl]-;Boronic acid,[2,4-bis(trifluoromethyl)phenyl]-;B-[2,4-Bis(trifluoromethyl)phenyl]boronic acid;2,4-Bis(trifluoromethyl)phenylboronic acid;2,4-Bis(trifluoromethyl)benzeneboronic acid;2,4-Di(trifluoromethyl)benzeneboronic acid;[2′,4′-Bis(trifluoromethyl)phenyl]boronic acid;(2,4-Ditrifluoromethylphenyl)boronic acid
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CAS No:
2,4-Bis(trifluoromethyl)phenylboronic acid Basic Attributes
257.93
257.93
-0
DTXSID20382198
29319090
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37/39-24/25
C,Xi
Corrosive
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-Bis(trifluoromethyl)phenylboronic acid Use and Manufacturing
General procedure: To a microwave reaction vessel were added compound 37a or 37b (36 mg, 0.1 mmol), arylboronic acid (2 equiv), Pd(PPh3)4 (5 mol %), K2CO3 (2 equiv) and MeOH/H2O (9/1, 2 mL). The reaction mixture was irradiated under argon at 120 C for the appropriate time. The reaction mixture was then concentrated and the residue was extract with DCM, washed by H2O and dried over Na2SO4. The organic layer was concentrated and the residue was purified by Combiflash (MeOH/DCM, 1%-3%) to give product.After dissolving Compound P6 (2.0 g, 3.84 mmol) and Under argon atmosphere, 2, 4-ditrifluoromethylphenylboronic acid (9.0 g, 35 mmol) was added to a 250 mL round bottom flask.Chlothiophene [2, 3-d]pyrimidine (5.1 g, 30 mmol), Pd(dppf)Cl2 (440 mg, 0.6 mmol), K2CO3 (5.5 g, 40 mmol), 60 mL 1, 4-dioxane and 20 mL water, The mixture was heated at 90 C with stirring for 6 h. Cool to room temperature, quench with water, extract with dichloromethane, and remove the solvent on a rotary evaporator. Purification by column chromatography. A white solid (8.6 g, 83%) was obtained.In accordance with the following formula, a C-N ligand (3) was obtained by reacting
Computed Properties
Molecular Weight:257.93
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:258.0286785
Monoisotopic Mass:258.0286785
Topological Polar Surface Area:40.5
Heavy Atom Count:17
Complexity:264
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 153254-09-2Grade: Pharmaceutical GradeContent: 99%
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2,4-Bis(trifluoromethyl)phenylboronic acid
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