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.


Price and Availability

Size
Price

1kg
USD 1250
Size
Price

2kg
USD 1950
Size
Price

5kg
USD 3950

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


Chemical Structure

img

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


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


Technical Data

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).

Harmonized System Code:
293490


References

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.