Original synthesis of Route of Rociletinib Hydrobromide

Nov 26, 2018

1.RociletinibHydrobromide and intermediates
RociletinibHydrobromide 1446700-26-0;1374640-70-6(free)  intermediate: 3932-97-6
RociletinibHydrobromide 1446700-26-0;1374640-70-6(free)  intermediate: 68621-88-5
RociletinibHydrobromide 1446700-26-0;1374640-70-6(free)  intermediate: 1374507-23-9
RociletinibHydrobromide 1446700-26-0;1374640-70-6(free)  intermediate: 1374507-24-0
RociletinibHydrobromide 1446700-26-0;1374640-70-6(free)  intermediate: 1374507-25-1
RociletinibHydrobromide 1446700-26-0;1374640-70-6(free)  intermediate: 1021426-42-5

2.ROS-RociletinibHydrobromide


3.
Chemical Names: CO-1686 hydrobromide; CO-1686 (hydrobromide); 1446700-26-0; CNX-419 hydrobroMide; CV4XAQ7MUV; UNII-CV4XAQ7MUV 
Molecular Formula: C27H29BrF3N7O3
Molecular Weight: 636.474 g/mol
InChI Key: IPKRDUJIGYXXNT-UHFFFAOYSA-N


IUPAC Name
N-[3-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;hydrobromide
InChI
InChI=1S/C27H28F3N7O3.BrH/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38;/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35);1H
Canonical SMILES
CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC.Br

 

 

 

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