4-Isobutylbenzoic acid → HCID 178440969, compound

HRID 1409937Notes

Reaction equation

HRID 1409937 reaction equation
Cl.Cl.[O:3]1[C:8]2=[CH:9][CH:10]=[CH:11][C:7]2=[CH:6][C:5]([CH:12]2[CH2:17][CH2:16][CH2:15][CH2:14][N:13]2[CH2:18][CH2:19][C@H:20]2[CH2:25][CH2:24][C@H:23]([NH2:26])[CH2:22][CH2:21]2)=[CH:4]1.[CH2:27]([C:31]1[CH:39]=[CH:38][C:34]([C:35](O)=[O:36])=[CH:33][CH:32]=1)[CH:28]([CH3:30])[CH3:29]>>[O:3]1[C:8]2=[CH:9][CH:10]=[CH:11][C:7]2=[CH:6][C:5]([CH:12]2[CH2:17][CH2:16][CH2:15][CH2:14][N:13]2[CH2:18][CH2:19][C@H:20]2[CH2:21][CH2:22][C@H:23]([NH:26][C:35](=[O:36])[C:34]3[CH:38]=[CH:39][C:31]([CH2:27][CH:28]([CH3:29])[CH3:30])=[CH:32][CH:33]=3)[CH2:24][CH2:25]2)=[CH:4]1

Participants

3

Reactant 2

HCID 381114-Isobutylbenzoic acidHCID 178478713HCID 178478713, compound2×

Product 1

HCID 178440969HCID 178440969, compound

Procedure

The title compound, off-white solid (89 mg, 73%), MS (ISP) m/z=487.4 [(M+H)+], mp 190° C., was prepared in accordance with the general method of example 1 from trans-4-[2-(4-benzofuran-3-yl-piperidin-1-yl)-ethyl]-cyclohexylamine dihydrochloride (intermediate A) (100 mg, 0.25 mmol) and 4-isobutyl-benzoic acid.

Sources & evidence

ORD record
ord-245d7e221a9a4b34ade5d5c42f94dcd3
Source dataset
uspto-grants-2014_12
Patent number
US08921397B2

Reaction notes

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