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6-bromo-n-(3-(difluoromethyl)phenyl)quinolin-4-amine

6-bromo-n-(3-(difluoromethyl)phenyl)quinolin-4-amine
6-bromo-n-(3-(difluoromethyl)phenyl)quinolin-4-amine

A routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCL salt) was solved, which uncovered that the difluoromethyl group was disordered within the packing arrangement and also a 126.08(7)_out of plane character between the respective ring systems within the molecule. The compound was fully characterized with 1H/13C-NMR and high-resolution mass spectra (HRMS), with the procedures described.

4-anilino-quin(az)olines, Conformational flexibility, Hinge binder, Kinase inhibitor design
1422-8599
1-7
Asquith, Christopher R.M.
51f24044-1f40-43c7-806a-2e78fdcc2733
Tizzard, Graham J.
8474c0fa-40df-43a6-a662-7f3c4722dbf2
Asquith, Christopher R.M.
51f24044-1f40-43c7-806a-2e78fdcc2733
Tizzard, Graham J.
8474c0fa-40df-43a6-a662-7f3c4722dbf2

Asquith, Christopher R.M. and Tizzard, Graham J. (2020) 6-bromo-n-(3-(difluoromethyl)phenyl)quinolin-4-amine. Molbank, 2020 (4), 1-7, [M1161]. (doi:10.3390/M1161).

Record type: Article

Abstract

A routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCL salt) was solved, which uncovered that the difluoromethyl group was disordered within the packing arrangement and also a 126.08(7)_out of plane character between the respective ring systems within the molecule. The compound was fully characterized with 1H/13C-NMR and high-resolution mass spectra (HRMS), with the procedures described.

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molbank-2020-M1161-v4 (1) - Version of Record
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More information

Accepted/In Press date: 15 October 2020
e-pub ahead of print date: 20 October 2020
Keywords: 4-anilino-quin(az)olines, Conformational flexibility, Hinge binder, Kinase inhibitor design

Identifiers

Local EPrints ID: 445111
URI: http://eprints.soton.ac.uk/id/eprint/445111
ISSN: 1422-8599
PURE UUID: 44a437a3-3a55-4444-ac09-e25558c7ec08
ORCID for Graham J. Tizzard: ORCID iD orcid.org/0000-0002-1577-5779

Catalogue record

Date deposited: 19 Nov 2020 17:32
Last modified: 18 Feb 2021 16:57

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