Butyl isocyanate → HCID 53936897, compound

HRID 2398305Notes

Reaction equation

HRID 2398305 reaction equation
[NH2:1][N:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[NH:12][C:11]=2[CH3:19])[CH2:4][CH2:3]1.[CH3:20][O:21][C:22]1[CH:23]=[C:24]([N:30]=[C:31]=[O:32])[CH:25]=[C:26]([O:28][CH3:29])[CH:27]=1.NN1CCN(CCC2C3C(=CC=CC=3)NC=2CC)CC1.C(N=C=O)CCC.NN1CCN(CCC2C3C(=CC(OC)=C(OC)C=3)NC=2)CC1.COC1C=C(N=C=O)C=C(OC)C=1OC>>[CH3:19][C:11]1[NH:12][C:13]2[C:18]([C:10]=1[CH2:9][CH2:8][N:5]1[CH2:6][CH2:7][N:2]([NH:1][C:31]([NH:30][C:24]3[CH:23]=[C:22]([O:21][CH3:20])[CH:27]=[C:26]([O:28][CH3:29])[CH:25]=3)=[O:32])[CH2:3][CH2:4]1)=[CH:17][CH:16]=[CH:15][CH:14]=2

Participants

7

Reactant 6

HCID 8110Butyl isocyanateHCID 5177665-Isocyanato-1,2,3-trimethoxybenzeneHCID 27362001-Isocyanato-3,5-dimethoxybenzeneHCID 12392201HCID 12392201, compoundHCID 21435058HCID 21435058, compoundHCID 21435059HCID 21435059, compound

Product 1

HCID 53936897HCID 53936897, compound

Procedure

By following essentially the same procedure but starting with (a) 3-[2-(4-aminopiperazin-1-yl)ethyl]-2-methylindole and 3,5-dimethoxyphenylisocyanate; (b) 3-[2-(4-aminopiperazin-1-yl)ethyl]-2-ethylindole and butylisocyanate; and (c) 3-[2-(4-aminopiperazin-1-yl)ethyl]-5,6-dimethoxyindole and 3,4,5-trimethoxyphenylisocyanate, it is possible to obtain (a) 1-[1-(2-methylindol-3-ylethyl)piperazin-4-yl]-3-(3,5-dimethoxyphenyl)urea; (b) 1-[1-(2-ethylindol-3-ylethyl)piperazin-4-yl]-3-butylurea; and (c) 1-[1-(5,6-dimethoxyindol-3-ylethyl)piperazin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea, respectively.

Sources & evidence

ORD record
ord-1d7526391ed340438a5061ed0beda1f1
Source dataset
uspto-grants-1977_05
Patent number
US04024258

Reaction notes

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