4-Cyanobenzoic acid → HCID 178509882, compound

HRID 1023261Notes

Reaction equation

HRID 1023261 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.[C:28]([C:30]1[CH:38]=[CH:37][C:33]([C:34](O)=[O:35])=[CH:32][CH:31]=1)#[N:29]>>[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]([NH:27][C:34](=[O:35])[C:33]5[CH:37]=[CH:38][C:30]([C:28]#[N:29])=[CH:31][CH:32]=5)[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[C:7]=2[O:6][CH2:5]1

Participants

3

Reactant 2

HCID 120874-Cyanobenzoic acidHCID 178478587HCID 178478587, compound2×

Product 1

HCID 178509882HCID 178509882, compound

Procedure

The title compound, white solid (22.6 mg, 60.2%), MS (ISP) m/z=461.3 [(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 4-cyanobenzoic acid.

Sources & evidence

ORD record
ord-03b09b5623d1423f80829b3231c2f8ec
Source dataset
uspto-grants-2014_05
Patent number
US08722683B2

Reaction notes

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