HCID 67060899, compound → HCID 86669686, compound

HRID 1623947Notes

Reaction equation

HRID 1623947 reaction equation
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[N:9]1[C:16]2[C@H:15]3[CH2:17][C@H:14]3[CH2:13][C:12]=2[C:11]([C:18](O)=[O:19])=[N:10]1.[NH2:21][CH2:22][C:23]1([N:29]([CH3:31])[CH3:30])[CH2:28][S:26](=[O:27])[CH2:25][CH2:24]1>>[CH3:30][N:29]([CH3:31])[C:23]1([CH2:22][NH:21][C:18]([C:11]2[C:12]3[CH2:13][C@@H:14]4[CH2:17][C@@H:15]4[C:16]=3[N:9]([C:3]3[CH:4]=[CH:5][C:6]([F:8])=[CH:7][C:2]=3[F:1])[N:10]=2)=[O:19])[CH2:24][CH2:25][S:26](=[O:27])[CH2:28]1

Participants

3

Reactant 2

HCID 67060899HCID 67060899, compoundHCID 68182541HCID 68182541, compound

Product 1

HCID 86669686HCID 86669686, compound

Procedure

The title compound was prepared in a manner similar to that described in Method G using Intermediate 3 (see Example 1.3) and 3-(aminomethyl)-3-(N,N-dimethylamino)tetramethylene sulfoxide LCMS m/z=435.4 [M+H]+; 1H NMR (400 MHz, CD3OD) δ ppm 0.48-0.51 (m, 1H), 1.21-1.28 (m, 1H), 2.20-2.28 (m, 1H), 2.35-2.40 (m, 1H), 2.41 (s, 3H), 2.47 (s, 3H), 2.50-2.58 (m, 1H), 2.71-2.80 (m, 1H), 2.90-3.10 (m, 3H), 3.15-3.20 (m, 1H), 3.30-3.38 (m, 2H, buried), 3.56-3.85 (m, 2H), 7.19-7.26 (m, 1H), 7.29-7.37 (m, 1H), 7.75-7.83 (m, 1H).

Sources & evidence

ORD record
ord-9681c416e5b340bca9c657d075aa915a
Source dataset
uspto-grants-2014_07
Patent number
US08778950B2

Reaction notes

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