HRID3847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID62412

tert-Butyl isocyanate

C5H9NO

HCID13731118

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(O)=[SH]CCCN1CCN(Cc2ccc(Cl)cc2)CC1.CC(C)(C)NC(O)=[SH]CCCN1CCN(Cc2ccc(Cl)cc2)CC1.Cl.Cl.Cl.Cl.O.O.O

HCID178418504

未命名化合物

收率 140.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The procedure described in Example 2 was followed, using 0.8 g of t-butyl isocyanate, 3.0 g of 3-[4-(4-chlorobenzyl)piperazin-1-yl]propanethiol dihydrochloride, 1.6 g of triethylamine and 75 ml of methylene chloride, to give 2.2 g (60% of theory) of N-(t-butyl)-S-{3-[4-(4-chlorobenzyl)piperazin-1-yl]propyl}thiocarbamate dihydrochloride sesquihydrate as a white crystalline solid, M.p. 246°-248° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a4a048975d74124980c61747a711e76
来源数据集: uspto-grants-1988_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04722926
来源说明: uspto-grants-1988_02

反应 SMILES

[C:1]([N:5]=[C:6]=[O:7])([CH3:4])([CH3:3])[CH3:2].[ClH:8].Cl.[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(N(CC)CC)C>C(Cl)Cl>[OH2:7].[ClH:10].[ClH:8].[C:1]([NH:5][C:6](=[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:7])([CH3:4])([CH3:3])[CH3:2].[OH2:7].[OH2:7].[C:1]([NH:5][C:6](=[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:7])([CH3:4])([CH3:3])[CH3:2].[ClH:10].[ClH:10]