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1-Isocyanato-4-methoxybenzene → HCID 178418524, 화합물

HRID 3836
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HRID 3836 반응식
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]=[C:10]=[O:11])=[CH:5][CH:4]=1.[Cl:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][CH2:21][N:22]2[CH2:27][CH2:26][N:25]([CH2:28][CH2:29][CH2:30][SH:31])[CH2:24][CH2:23]2)=[CH:15][CH:14]=1>C=Cl>[OH2:2].[ClH:12].[ClH:12].[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10](=[SH:31][CH2:30][CH2:29][CH2:28][N:25]2[CH2:26][CH2:27][N:22]([CH2:21][CH2:20][CH2:19][C:16]3[CH:17]=[CH:18][C:13]([Cl:12])=[CH:14][CH:15]=3)[CH2:23][CH2:24]2)[OH:11])=[CH:7][CH:8]=1.[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10](=[SH:31][CH2:30][CH2:29][CH2:28][N:25]2[CH2:26][CH2:27][N:22]([CH2:21][CH2:20][CH2:19][C:16]3[CH:17]=[CH:18][C:13]([Cl:12])=[CH:14][CH:15]=3)[CH2:23][CH2:24]2)[OH:11])=[CH:7][CH:8]=1.[ClH:12].[ClH:12]
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 794431-Isocyanato-4-methoxybenzeneHCID 137311293-{4-[3-(4-Chlorophenyl)propyl]piperazin-1-yl}propanethiol

생성물 1

HCID 178418524HCID 178418524, 화합물수율 146.1%

시약·촉매·용매 1

HCID 5378701Methyl, chloro-용매

실험 절차

The procedure described in Example 35 was followed, using 2.0 g of 4-methoxyphenyl isocyanate, 4.0 g of 3-{4-[3-(4-chlorophenyl)propyl]piperazin-1-yl}propanethiol and 100 ml of methylene chlorine to give 3.4 g (48% of theory) of N-(4-methoxyphenyl)-S-{3-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]propyl}thiocarbamate dihydrochloride hemihydrate as a white crystalline solid, M.p. 240°-244° C.

출처 및 근거

ORD 기록
ord-0346a80a37094debaa473c96709fc5a5
출처 데이터셋
uspto-grants-1988_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04722926

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