Benzo-1,3-dioxole-5-acetic acid → HCID 178520186, compound

HRID 2042510Notes

Reaction equation

HRID 2042510 reaction equation
Cl.Cl.Cl.[O:4]1[C:12]2[CH:11]=[CH:10][N:9]=[C:8]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH2:27])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[C:7]=2[CH2:6][CH2:5]1.[O:28]1[C:32]2[CH:33]=[CH:34][C:35]([CH2:37][C:38](O)=[O:39])=[CH:36][C:31]=2[O:30][CH2:29]1>>[O:28]1[C:32]2[CH:33]=[CH:34][C:35]([CH2:37][C:38]([NH:27][C@H:24]3[CH2:25][CH2:26][C@H:21]([CH2:20][CH2:19][N:16]4[CH2:17][CH2:18][N:13]([C:8]5[C:7]6[CH2:6][CH2:5][O:4][C:12]=6[CH:11]=[CH:10][N:9]=5)[CH2:14][CH2:15]4)[CH2:22][CH2:23]3)=[O:39])=[CH:36][C:31]=2[O:30][CH2:29]1

Participants

3

Reactant 2

HCID 76115Benzo-1,3-dioxole-5-acetic acidHCID 178478589HCID 178478589, compound2×

Product 1

HCID 178520186HCID 178520186, compound

Procedure

The title compound, white solid (110 mg, 89%), MS (ISP) m/z=493.4 [(M+H)+], mp 212° C., was prepared in accordance with the general method of example 32 from trans-4-{2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexanamine trihydrochloride (intermediate C) (110 mg, 0.25 mmol) and 2-(benzo[1,3]dioxol-5-yl)-acetic acid.

Sources & evidence

ORD record
ord-745c0b225b144544b045bbf579cd366a
Source dataset
uspto-grants-2013_11
Patent number
US08586579B2

Reaction notes

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