Phenyl isocyanate → HCID 178418520, compound

HRID 3814Notes

Reaction equation

HRID 3814 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.[C:12]1([CH:18]([N:20]2[CH2:25][CH2:24][N:23]([CH2:26][CH2:27][CH2:28][SH:29])[CH2:22][CH2:21]2)[CH3:19])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(N(CC)CC)C>C(Cl)Cl>[OH2:9].[OH2:9].[ClH:10].[ClH:10].[C:1]1([NH:7][C:8](=[SH:29][CH2:28][CH2:27][CH2:26][N:23]2[CH2:22][CH2:21][N:20]([CH:18]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH3:19])[CH2:25][CH2:24]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

Participants

5

Reactant 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 137311223-[4-(1-Phenylethyl)piperazin-1-yl]propanethiol dihydrochloride

Product 1

HCID 178418520HCID 178418520, compoundYield 94.8%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The procedure described in Example 2 was followed, using 1.6 g of phenyl isocyanate, 4.5 g of 3-[4-(1-phenylethyl)piperazin-1-yl]propanethiol dihydrochloride, 1.3 g of triethylamine and 50 ml of methylene chloride, to give 2.1 g (38% of theory) of N-phenyl-S-{3-[4-(1-phenylethyl)piperazin-1-yl]propyl}thiocarbamate dihydrochoride dihydrate as a white crystalline solid, M.p. 227°-229° C.

Sources & evidence

ORD record
ord-d4976450c77348398a9bbdba85a55e9b
Source dataset
uspto-grants-1988_02
Patent number
US04722926

Reaction notes

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