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HONGKUN / PRODUCT DIRECTORY

3′,4′,5′-Trifluoro-[1,1′-biphenyl]-2-amine | CAS 915416-45-4

The ortho-amino biphenyl fragment used in published fluxapyroxad chemistry, combining a defined three-fluorine substitution pattern with an aniline coupling site that makes positional-isomer control particularly relevant to procurement.

CAS915416-45-4
Molecular formulaC12H8F3N
Molecular weight223.19 g/mol

Product overview

This aminobiphenyl supplies the aromatic amine fragment in fluxapyroxad synthesis. One phenyl ring carries an amino group ortho to the biaryl bond, while the other bears fluorine at 3′, 4′ and 5′. CAS 915416-45-4 identifies the free amine. The position of NH2 is essential for matching the intended carboxamide assembly: a para-amino analogue has the same formula but different connectivity. Structural identification should therefore accompany a method that resolves relevant positional impurities. If the selected preparation uses metal-mediated coupling or reduction, review catalyst-derived residues in light of the next transformation. The specification should state the free-base form and the quantitative basis for the amine content.

Chemical identity

Chemical name
3',4',5'-Trifluoro-[1,1'-biphenyl]-2-amine
CAS number
915416-45-4
Molecular formula
C12H8F3N
Molecular weight
223.19 g/mol

Application context

Fluxapyroxad synthesis uses this ortho-amino trifluorobiphenyl as the amine component in carboxamide assembly with a substituted pyrazole carbonyl partner. The biphenyl skeleton and all three fluorines are already installed. Qualification should establish the ortho-amino identity and separation from the para-amino analogue relevant to some preparation routes. Agree free-base assay and any catalyst-metal controls against the actual manufacturing process and receiving acylation.

Chemistry and synthetic role

The molecule separates two functions: the fluorinated biaryl framework supplies the carbon skeleton, while the primary aniline nitrogen provides the amide-forming site. Moving the amine to another ring position changes connectivity; a matching mass spectrum alone cannot establish the intended regioisomer.

Quality review

Locate the amino group

Request NMR or an equivalent structural comparison that establishes the 2-amino arrangement and the 3′,4′,5′ fluorine pattern. Formula and molecular mass do not distinguish positional isomers.

Resolve the para-amino analogue

A positional by-product is discussed in published preparation routes. Ask whether the proposed related-substances method resolves it from the desired ortho amine and agree a limit if relevant.

Review route-dependent metals

If palladium or another metal is used in making the selected grade, consider a targeted residue assessment against downstream requirements. A metal panel should follow the actual process risk.

Preparing a specification

Specify the free amine, the required assay basis and a method resolving positional impurities. Include water or residual-solvent correction where needed for charging calculations, and define any catalyst-metal limits after reviewing the proposed route.

Packaging and storage

Confirm packaging format, net weight and transport arrangements for the selected grade, order quantity and destination. Request the applicable SDS and label to establish storage and handling conditions.

Documentation

Request identity spectra, the related-substances method and an example chromatogram. Ask whether a batch COA, SDS and process-relevant metal results are available from the selected source; do not equate an assay statement with complete qualification.

Procurement questions

Why does the amino position matter?

The ortho amine is the fragment identified in fluxapyroxad routes. The para analogue is a different substance even though its formula and mass are the same.

Is this the fungicide fluxapyroxad?

No. It is the amine precursor used to assemble the final carboxamide in published routes.

Should palladium always be specified?

Only when the selected source’s route or the receiving process makes palladium relevant. Agree the element list and analytical sensitivity for that case.

Technical sources
  1. 3′,4′,5′-Trifluoro-[1,1′-biphenyl]-2-amine PC104083Apollo Scientific
  2. Chemical synthesis of trifluorobiphenyl-2-amineCN109761820B / Google Patents
  3. Preparation of fluxapyroxadCN119285548A / Google Patents

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