3-Methyl-2-butenoyl chloride → HCID 86594327, compound

HRID 2211886Notes

Reaction equation

HRID 2211886 reaction equation
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([N:10]2[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][C:18]3[CH:19]=[C:20]([NH2:24])[CH:21]=[CH:22][CH:23]=3)[CH2:12][CH2:11]2)=[N:2]1.[CH3:25][C:26]([CH3:31])=[CH:27][C:28](Cl)=[O:29]>>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][C:18]3[CH:19]=[C:20]([NH:24][C:28](=[O:29])[CH:27]=[C:26]([CH3:31])[CH3:25])[CH:21]=[CH:22][CH:23]=3)[CH2:14][CH2:15]2)=[N:2]1

Participants

3

Reactant 2

HCID 1023943-Methyl-2-butenoyl chlorideHCID 21963299HCID 21963299, compound

Product 1

HCID 86594327HCID 86594327, compoundYield 96.5%

Procedure

Starting from {3-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-phenyl}-amine (338 mg, 1 mmol) and 3,3 dimethyl acryloyl chloride (116 μL, 1.05 mmol) and following the procedure as outlined in Example 1, 406 mg of 3-methyl-but-2-enoic acid {3-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-phenyl}-amide was isolated as a light yellow solid in 100% purity @ 254 nm; LCMS (APCI): 421 [M+H]+.

Sources & evidence

ORD record
ord-8eb504f33f0a4d5b8648acbaebe5a152
Source dataset
uspto-grants-2006_09
Patent number
US07101886B2

Reaction notes

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