3-Hydroxyisovaleric acid → HCID 178459209, compound

HRID 1023236Notes

Reaction equation

HRID 1023236 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.[OH:28][C:29]([CH3:35])([CH3:34])[CH2:30][C:31](O)=[O:32]>>[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:31](=[O:32])[CH2:30][C:29]([OH:28])([CH3:35])[CH3:34])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[C:7]=2[O:6][CH2:5]1

Participants

3

Reactant 2

HCID 693623-Hydroxyisovaleric acidHCID 178478587HCID 178478587, compound2×

Product 1

HCID 178459209HCID 178459209, compound

Procedure

The title compound, white solid (15 mg, 49.7%), MS (ISP) m/z=432.4 [(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) (25.8 mg, 0.070 mmol) and 3-hydroxy-3-methylbutanoic acid.

Sources & evidence

ORD record
ord-575a1da71a564ff1a462b355a1f380f3
Source dataset
uspto-grants-2014_05
Patent number
US08722683B2

Reaction notes

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