Phenyl isocyanate → HCID 178418528, compound

HRID 3797

Reaction equation

HRID 3797 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.[Cl: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>[ClH:12].[ClH:10].[C:1]1([NH:7][C:8](=[SH:27][CH2:26][CH2:25][CH2:24][N:21]2[CH2:22][CH2:23][N:18]([CH2:17][C:16]3[CH:15]=[CH:14][C:13]([Cl:12])=[CH:29][CH:28]=3)[CH2:19][CH2:20]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

Participants

5

Reactant 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 137311183-[4-(4-Chlorobenzyl)piperazin-1-yl]propanethiol dihydrochloride

Product 1

HCID 178418528HCID 178418528, compoundYield 107.1%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The procedure described in Example 2 was followed, using 4.3 g of phenyl isocyanate, 12.7 g of 3-[4-(4-chlorobenzyl)piperazin-1-yl]propanethiol dihydrochloride, 7.3 g of triethylamine and 100 ml of methylene chloride, to give 9.1 g (53% of theory) of N-phenyl-S-{3-[4-(4-chlorobenzyl)piperazin-1-yl]propyl}thiocarbamate dihydrochloride as a white crystalline solid, M.p. >230° C. (dec.).

Sources & evidence

ORD record
ord-1915446d4e914e9ba2cead88cca852e5
Source dataset
uspto-grants-1988_02
Patent number
US04722926

Linked notes

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