Trifluoroacetate → 7-[(1-tert-butylpiperidin-4-yl)amino]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one

HRID 394194Notes

Reaction equation

[C:1]([N:5]1[CH2:10][CH2:9][CH:8]([NH:11][C:12]2[CH:21]=[C:20]3[C:15]([CH2:16][N:17](CC4C=CC(OC)=CC=4)[C:18](=[O:30])[N:19]3[C:22]3[C:27]([Cl:28])=[CH:26][CH:25]=[CH:24][C:23]=3[Cl:29])=[C:14]([C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][C:41]=3[Cl:46])[CH:13]=2)[CH2:7][CH2:6]1)([CH3:4])([CH3:3])[CH3:2].FC(F)(F)C([O-])=O>>[C:1]([N:5]1[CH2:10][CH2:9][CH:8]([NH:11][C:12]2[CH:21]=[C:20]3[C:15]([CH2:16][NH:17][C:18](=[O:30])[N:19]3[C:22]3[C:27]([Cl:28])=[CH:26][CH:25]=[CH:24][C:23]=3[Cl:29])=[C:14]([C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][C:41]=3[Cl:46])[CH:13]=2)[CH2:7][CH2:6]1)([CH3:4])([CH3:2])[CH3:3]

Participants

Reactant 2

HCID 84468Trifluoroacetate

HCID 22648089HCID 22648089, compound

Product 1

HCID 226480877-[(1-tert-butylpiperidin-4-yl)amino]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one

Procedure

The 7-[(1-tert-butylpiperidin-4-yl)amino]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one was prepared from 7-[(1-tert-butylpiperidin-4-yl)amino]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3-(4-methoxybenzyl)-3,4-dihydroquinazolin-2(1H)-one by a procedure analogous to that described in COMPOUND CCC3, STEP F. Mass spectrum (ESI) 557 (M+1). Trifluoroacetate salt 1H NMR (500 MHz, CDCl3): selected peaks δ 1.08 (s, 9H); 1.41 (m, 2H); 1.98 (d, J=4.6 Hz, 2H); 2.17 (brs, 2H); 2.96 (d, J=8.7 Hz, 2H); 3.05 (brs, 1H); 4.13 (dd, J=1.8 Hz, J=13.7 Hz, 1H); 4.31 (dd, J=1.1 Hz, J=13.7 Hz, 1H); 5.17 (s, 1H).

Sources & evidence

ORD record: ord-0cccc20bd39542d9861ff684f889a616
Source dataset: uspto-grants-2004_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06809199B2

Reaction notes

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