Benzo-1,3-dioxole-5-acetic acid → HCID 178520185, compound

HRID 1023255Notes

Reaction equation

HRID 1023255 reaction equation
Cl.Cl.Cl.[O:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[C:12]([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[O: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:12]5[C:7]6[O:6][CH2:5][O:4][C:8]=6[CH:9]=[CH:10][CH:11]=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 178478587HCID 178478587, compound2×

Product 1

HCID 178520185HCID 178520185, compound

Procedure

The title compound, white solid (26 mg, 64.6%), MS (ISP) m/z=494.3 [(M+H)+], was prepared in accordance with the general method of example 1 from Trans-4-[2-(4-Benzo[1,3]dioxol-4-yl-piperazin-1-yl)-ethyl]-cyclohexylamine hydrochloride (Intermediate A) (30 mg, 81.5 mmol) and 2-(benzo[d][1,3]dioxol-5-yl)acetic acid.

Sources & evidence

ORD record
ord-c0f60b39913f4277b9480aa4dda88fe8
Source dataset
uspto-grants-2014_05
Patent number
US08722683B2

Reaction notes

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