69193-39-1 → HCID 54335788, compound

HRID 1432974Notes

Reaction equation

HRID 1432974 reaction equation
[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([CH2:12][N:13]3[CH2:18][CH2:17][NH:16][CH:15]([CH2:19][CH3:20])[C:14]3=[O:21])=[CH:9][CH:10]=2)[N:5]=[CH:4][N:3]=1.[Cl:22][C:23]1[S:27][C:26](/[CH:28]=[CH:29]/[C:30](O)=[O:31])=[CH:25][CH:24]=1>>[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([CH2:12][N:13]3[CH2:18][CH2:17][N:16]([C:30](=[O:31])[CH:29]=[CH:28][C:26]4[S:27][C:23]([Cl:22])=[CH:24][CH:25]=4)[C@@H:15]([CH2:19][CH3:20])[C:14]3=[O:21])=[CH:9][CH:10]=2)[N:5]=[CH:4][N:3]=1

Participants

3

Reactant 2

HCID 1310045069193-39-1HCID 179851971-(4-Aminoquinazoline-7-ylmethyl)-3-ethylpiperazine-2-one

Product 1

HCID 54335788HCID 54335788, compound

Procedure

The title compound is prepared as described in EXAMPLE 123, using 1-(4-aminoquinazoline-7-ylmethyl)-3-ethyl-piperazine-2-one, EXAMPLE 77 and 3-(5-chloro-thiophen-2-yl)-(E)-acrylic acid, EXAMPLE 25. 1H NMR(d6-DMSO+1 drop TFA, 300 MHz) δ9.78 (bs, 2H), 8.79 (s, 1H), 8.37 (d, 1H), 7.65 (m, 2H), 7.50 (s, 1H), 7.41 (m, 1H), 7.11 (d, 1H), 6.98 (d, 1H), 4.88 (m, 2H), 4.60 (m, 1H), 4.31 (m, 1H), 3.52 (m, 1H), 3.30 (m, 2H), 1.96 (m, 2H), 0.88 (m, 3H). MS (ion spray), m/z, (M+H)=456, 458 (Cl pattern). Elemental analysis, cal C22H22ClN5O2S.1.5C2HF3O2% C=47.89, % H=3.78, % N=11.17; found % C=47.34, % H=4.00, % N=11.12.

Sources & evidence

ORD record
ord-173988e2e8b84edc83137ba5890d8a3a
Source dataset
uspto-grants-2009_11
Patent number
US07612075B2

Reaction notes

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