Phenyl isocyanate → HCID 178418533, 화합물

HRID 3791

반응식

HRID 3791 반응식
[C:1]1([N:7]=[C:8]=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:10].Cl.[CH2:12]([N:19]1[CH2:24][CH2:23][N:22]([CH2:25][CH2:26][CH2:27][SH:28])[CH2:21][CH2:20]1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(N(CC)CC)C>C(Cl)Cl>[OH2:9].[ClH:10].[ClH:10].[C:1]1([NH:7][C:8](=[SH:28][CH2:27][CH2:26][CH2:25][N:22]2[CH2:21][CH2:20][N:19]([CH2:12][C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[CH2:24][CH2:23]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

참가 물질

5

반응물 3

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 137311143-(4-Benzylpiperazin-1-yl)propanethiol dihydrochloride

생성물 1

HCID 178418533HCID 178418533, 화합물수율 41.9%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

1.6 g of phenyl isocyanate were added to a solution of 4.0 g of 3-(4-benzylpiperazin-1-yl)propanethiol dihydrochloride and 2.6 g of triethylamine in 50 ml of methylene chloride. The mixture was refluxed for four hours, washed with water and dried (sodium sulfate). Precipitation of the salt with ethereal hydrochloric acid gave 1.2 g (20% of theory) of N-phenyl-S-[3-(4-benzylpiperazin-1-yl)propyl]thiocarbamate dihydrochloride monohydrate as a white crystalline solid, M.p. 216°-219° C.

후처리

  1. temperatureThe mixture was refluxed for four hours
  2. washwashed with water
  3. dry with materialdried (sodium sulfate)
  4. customPrecipitation of the salt with ethereal hydrochloric acid

출처 및 근거

ORD 기록
ord-e0666140f18d4bf7be07a753ad3f837c
출처 데이터셋
uspto-grants-1988_02
특허 번호
US04722926

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