4-(Trifluoromethyl)phenylboronic acid

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 610230

CAS#: 128796-39-4

Description: 4-(Trifluoromethyl)phenylboronic acid undergoes direct cross-coupling with allyl alcohols. One use of this drug is to N-arylate imidazoles and amines with copper-exchanged fluorapatite, as well as used in microwave-promoted cross-coupling with acid chlorides leading to aryl ketones. It contains varying amounts of anhydride.


Chemical Structure

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4-(Trifluoromethyl)phenylboronic acid
CAS# 128796-39-4

Theoretical Analysis

MedKoo Cat#: 610230
Name: 4-(Trifluoromethyl)phenylboronic acid
CAS#: 128796-39-4
Chemical Formula: C7H6BF3O2
Exact Mass: 190.04129
Molecular Weight: 189.93
Elemental Analysis: C, 44.27; H, 3.18; B, 5.69; F, 30.01; O, 16.85

Size Price Shipping out time Quantity
1kg USD 1250 2 Weeks
2kg USD 1950 2 Weeks
5kg USD 3950 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2021-02-27. Prices are subject to change without notice.

4-(Trifluoromethyl)phenylboronic acid, purity > 98%, is in stock. Current shipping out time is about 10 days after order is received.

Synonym: α,α,α-Trifluoro-p-tolylboronic acid, 4-(Trifluoromethyl)benzeneboronic acid, [p-(Trifluoromethyl)phenyl]boronic acid

IUPAC/Chemical Name: [4-(trifluoromethyl)phenyl]boronic acid

InChi Key: ALMFIOZYDASRRC-UHFFFAOYSA-N

InChi Code: InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H

SMILES Code: B(C1=CC=C(C=C1)C(F)(F)F)(O)O

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001

Handling Instructions:

Preparing Stock Solutions

The following data is based on the product molecular weight 189.93 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Cao KS, Bian HX, Zheng WH. Mild arylboronic acid catalyzed selective [4 + 3] cycloadditions: access to cyclohepta[b]benzofurans and cyclohepta[b]indoles. Org Biomol Chem. 2015 Jun 21;13(23):6449-52. doi: 10.1039/c5ob00653h. Epub 2015 May 14. PubMed PMID: 25971529.

2: Christinat N, Scopelliti R, Severin K. Boron-based rotaxanes by multicomponent self-assembly. Chem Commun (Camb). 2008 Aug 21;(31):3660-2. doi: 10.1039/b805437a. Epub 2008 Jun 11. PubMed PMID: 18665291.

3: Maki T, Ishihara K, Yamamoto H. 4,5,6,7-Tetrachlorobenzo[d][1,3,2]dioxaborol- 2-ol as an effective catalyst for the amide condensation of sterically demanding carboxylic acids. Org Lett. 2006 Mar 30;8(7):1431-4. PubMed PMID: 16562909.

4: Westmark PR, Smith BD. Boronic acids facilitate the transport of ribonucleosides through lipid bilayers. J Pharm Sci. 1996 Mar;85(3):266-9. PubMed PMID: 8699326.

5: Jordan F, Polgar L, Tous G. Proton magnetic resonance studies of the states of ionization of histidines in native and modified subtilisins. Biochemistry. 1985 Dec 17;24(26):7711-7. PubMed PMID: 3912007.

6: Poole CF, Johansson L, Vessman J. Formation of electron-capturing derivatives of alprenolol by transboronation: application to the determination of alprenolol in plasma. J Chromatogr. 1980 Jun 27;194(3):365-77. PubMed PMID: 7391216.