Phenyl isocyanate → HCID 178418541, compound

HRID 2290877Notes

Reaction equation

HRID 2290877 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:30]=[CH:29][C:16]([CH2:17][CH2:18][N:19]2[CH2:24][CH2:23][N:22]([CH2:25][CH2:26][CH2:27][SH:28])[CH2:21][CH2:20]2)=[CH:15][CH:14]=1.C(N(CC)CC)C>C(Cl)Cl>[OH2:9].[ClH:12].[ClH:10].[C:1]1([NH:7][C:8](=[SH:28][CH2:27][CH2:26][CH2:25][N:22]2[CH2:23][CH2:24][N:19]([CH2:18][CH2:17][C:16]3[CH:15]=[CH:14][C:13]([Cl:12])=[CH:30][CH:29]=3)[CH2:20][CH2:21]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

Participants

5

Reactant 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 137311263-[4-(4-Chlorophenethyl)piperazin-1-yl]propanethiol dihydrochloride

Product 1

HCID 178418541HCID 178418541, compoundYield 87.4%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The procedure described in Example 2 was followed, using 1.6 g of phenyl isocyanate, 5.0 g of 3-[4-(4-chlorophenethyl)piperazin-1-yl]propanethiol dihydrochloride, 1.3 g of triethylamine and 50 ml of methylene chloride, to give 3.0 g (44% of theory) of N-phenyl-S-{3-[4-(4-chlorophenethyl)piperazin-1-yl]propyl}thiocarbamate dihydrochloride monohydrate as a white crystalline solid, M.p. 237°-239° C.

Sources & evidence

ORD record
ord-c3016bc627894a14b2d10067ba201f20
Source dataset
uspto-grants-1986_10
Patent number
US04618677

Reaction notes

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