홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Triethylamine → 1-{3-[4-(3-Trifluoromethyl-4-chlorobenzyl)piperazin-1-yl]propyl}-3-n-hexylurea dihydrochloride

HRID 543187
노트
인쇄 미리보기

반응식

HRID 543187 반응식
[N:1]1([CH2:7][CH2:8][CH2:9][NH:10][C:11]([NH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])=[O:12])[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[F:20][C:21]([F:32])([F:31])[C:22]1[CH:23]=[C:24]([CH:27]=[CH:28][C:29]=1[Cl:30])[CH2:25][Cl:26].C(N(CC)CC)C>C(O)C>[ClH:26].[ClH:26].[F:31][C:21]([F:20])([F:32])[C:22]1[CH:23]=[C:24]([CH:27]=[CH:28][C:29]=1[Cl:30])[CH2:25][N:4]1[CH2:3][CH2:2][N:1]([CH2:7][CH2:8][CH2:9][NH:10][C:11]([NH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])=[O:12])[CH2:6][CH2:5]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 8471TriethylamineHCID 130942621-Chloro-4-(chloromethyl)-2-(trifluoromethyl)benzeneHCID 571432471-(3-Piperazinylpropyl)-3-n-hexylurea

생성물 1

HCID 136067271-{3-[4-(3-Trifluoromethyl-4-chlorobenzyl)piperazin-1-yl]propyl}-3-n-hexylurea dihydrochloride수율 115.7%

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

A mixture of 1-(3-piperazinylpropyl)-3-n-hexylurea (2.7 g; 10 mmole), 3-trifluoromethyl-4-chloro-benzyl chloride (2.29 g; 10 mmole), triethylamine (1.01 g; 10 mmole) and ethanol (30 ml) was refluxed for 3 hours. The solvent was evaporated in vacuo, and water was added to the residue. The product was extracted with ether, and the extract was dried (sodium sulfate) and concentrated. Precipitation of the oily residue with ethereal hydrochloric acid, followed by recrystallization from alcohol, provided the title compound (3.1 g; 58% yield) as colorless crystals, m.p. 216°-219° C.

후처리

  1. temperaturewas refluxed for 3 hours
  2. customThe solvent was evaporated in vacuo, and water
  3. additionwas added to the residue
  4. extractionThe product was extracted with ether
  5. dry with materialthe extract was dried (sodium sulfate)
  6. concentrationconcentrated
  7. customPrecipitation of the oily residue with ethereal hydrochloric acid
  8. customfollowed by recrystallization from alcohol

출처 및 근거

ORD 기록
ord-ec5e8acdc7ad4825a7617784dd8cf890
출처 데이터셋
uspto-grants-1987_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04661481

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트