Phenyl isocyanate → HCID 178418494, compound

HRID 3809Notes

Reaction equation

HRID 3809 reaction equation
[C:1]1([N:7]=[C:8]=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:10].Cl.[CH3:12][C:13]1[CH:29]=[CH:28][C:16]([CH2:17][N:18]2[CH2:23][CH2:22][N:21]([CH2:24][CH2:25][CH2:26][SH:27])[CH2:20][CH2:19]2)=[CH:15][CH:14]=1.C(N(CC)CC)C>C(Cl)Cl>[OH2:9].[ClH:10].[ClH:10].[C:1]1([NH:7][C:8](=[SH:27][CH2:26][CH2:25][CH2:24][N:21]2[CH2:20][CH2:19][N:18]([CH2:17][C:16]3[CH:15]=[CH:14][C:13]([CH3:12])=[CH:29][CH:28]=3)[CH2:23][CH2:22]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH2:9].[OH2:9].[C:1]1([NH:7][C:8](=[SH:27][CH2:26][CH2:25][CH2:24][N:21]2[CH2:20][CH2:19][N:18]([CH2:17][C:16]3[CH:15]=[CH:14][C:13]([CH3:12])=[CH:29][CH:28]=3)[CH2:23][CH2:22]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:10].[ClH:10]

Participants

5

Reactant 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 137311203-[4-(4-Methylbenzyl)piperazin-1-yl]propanethiol dihydrochloride

Product 1

HCID 178418494HCID 178418494, compoundYield 48.2%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The procedure described in Example 2 was followed, using 1.4 g of phenyl isocyanate, 4.0 g of 3-[4-(4-methylbenzyl)piperazin-1-yl]propanethiol dihydrochloride, 1.2 g of triethylamine and 50 ml of methylene chloride, to give 1.1 g (20% of theory) of N-phenyl-S-{3-[4-(4-methylbenzyl)piperazin-1-yl]propyl}thiocarbamate dihydrochloride sesquihydrate as a white crystalline solid, M.p. 255°-258° C.

Sources & evidence

ORD record
ord-1a29534138cf42879b452e139d3dd015
Source dataset
uspto-grants-1988_02
Patent number
US04722926

Reaction notes

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