Hexyl isocyanate → HCID 178418539, compound

HRID 3837

Reaction equation

HRID 3837 reaction equation
[CH2:1]([N:7]=[C:8]=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[Cl:10][C:11]1[CH:27]=[CH:26][C:14]([CH2:15][N:16]2[CH2:21][CH2:20][N:19]([CH2:22][CH2:23][CH2:24][SH:25])[CH2:18][CH2:17]2)=[CH:13][CH:12]=1>C(Cl)Cl>[ClH:10].[ClH:10].[CH2:1]([NH:7][C:8](=[SH:25][CH2:24][CH2:23][CH2:22][N:19]1[CH2:20][CH2:21][N:16]([CH2:15][C:14]2[CH:13]=[CH:12][C:11]([Cl:10])=[CH:27][CH:26]=2)[CH2:17][CH2:18]1)[OH:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6]

Participants

4

Reactant 2

HCID 75659Hexyl isocyanateHCID 137311173-[4-(4-Chlorobenzyl)piperazin-1-yl]propanethiol

Product 1

HCID 178418539HCID 178418539, compoundYield 157.9%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The procedure described in Example 35 was followed, using 1.4 g of n-hexyl isocyanate, 3.0 g of 3-[4-(4-chlorobenzyl)piperazin-1-yl]propanethiol and 100 ml of methylene chloride, to give 2.7 g (51% of theory) of N-(n-hexyl)-S-{3-[4-(4-chlorobenzyl)piperazin-1-yl]propyl}thiocarbamate dihydrochloride as a white crystalline solid, M.p. 249°-252° C. (dec.).

Sources & evidence

ORD record
ord-b3cce434c6ef4afc85c9dbb95a837744
Source dataset
uspto-grants-1988_02
Patent number
US04722926

Linked notes

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