(Adamantan-1-ylsulfanyl)-acetic acid → HCID 67160226, compound

HRID 469675Notes

Reaction equation

HRID 469675 reaction equation
[NH2:1][N:2]1[N:11]=[C:10]([C:12]([F:15])([F:14])[F:13])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:16].[C:17]12([S:27][CH2:28][C:29](O)=[O:30])[CH2:26][CH:21]3[CH2:22][CH:23]([CH2:25][CH:19]([CH2:20]3)[CH2:18]1)[CH2:24]2>>[C:17]12([S:27][CH2:28][C:29]([NH:1][N:2]3[N:11]=[C:10]([C:12]([F:15])([F:13])[F:14])[C:9]4[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=4)[C:3]3=[O:16])=[O:30])[CH2:26][CH:21]3[CH2:22][CH:23]([CH2:25][CH:19]([CH2:20]3)[CH2:18]1)[CH2:24]2

Participants

3

Reactant 2

HCID 745045(Adamantan-1-ylsulfanyl)-acetic acidHCID 671611112-amino-4-(trifluoromethyl)phthalazin-1(2H)-one

Product 1

HCID 67160226HCID 67160226, compound

Procedure

The product from Example 11B and 2-(adamantan-1-ylthio)acetic acid were treated using a method similar to that described in Example 17C to give the title compound 1H NMR (400 MHz, DMSO-d6) δ ppm 11.68-11.85 (bs, 1H), 8.43 (ddd, J=8.0, 1.4, 0.7 Hz, 1H), 8.13 (ddd, J=8.0, 7.4, 1.4 Hz, 1H), 8.03-8.08 (m, 1H), 8.00-8.05 (m, 1H), 3.44 (s, 2H), 2.01-2.04 (m, 3H), 1.86-1.89 (m, 6H), 1.65-1.69 (m, 6H); MS (APCI+) M/Z 438 (M+H)+.

Sources & evidence

ORD record
ord-2e3db7b4f40e420ea69a61629f5eab35
Source dataset
uspto-grants-2014_01
Patent number
US08629143B2

Reaction notes

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