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Thiourea → n-[4-({2-[(3-Tert-butylphenyl)amino]-1-methyl-1h-benzimidazol-5-yl}oxy)pyridin-2-yl]-n'-(2-morpholin-4-ylethyl)urea

HRID 1963713
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HRID 1963713 반응식
[N-]=[C:2]=S.[C:4]([C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1)([CH3:7])([CH3:6])[CH3:5].[NH2:14][C:15]1[CH:16]=[C:17]([CH:37]=[CH:38][C:39]=1NC)[O:18][C:19]1[CH:24]=[CH:23][N:22]=[C:21]([NH:25][C:26]([NH:28][CH2:29][CH2:30][N:31]2[CH2:36][CH2:35][O:34][CH2:33][CH2:32]2)=[O:27])[CH:20]=1.[NH2:42][C:43]([NH2:45])=S>CO>[C:4]([C:8]1[CH:13]=[C:12]([NH:42][C:43]2[N:45]([CH3:2])[C:39]3[CH:38]=[CH:37][C:17]([O:18][C:19]4[CH:24]=[CH:23][N:22]=[C:21]([NH:25][C:26]([NH:28][CH2:29][CH2:30][N:31]5[CH2:32][CH2:33][O:34][CH2:35][CH2:36]5)=[O:27])[CH:20]=4)=[CH:16][C:15]=3[N:14]=2)[CH:11]=[CH:10][CH:9]=1)([CH3:7])([CH3:6])[CH3:5]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 2723790ThioureaHCID 69006155n-{4-[3-Amino-4-(methylamino)phenoxy] (2-pyridyl)}[(2-morpholin-4-ylethyl)amino]carboxamideHCID 178440816HCID 178440816, 화합물

생성물 1

HCID 59790199n-[4-({2-[(3-Tert-butylphenyl)amino]-1-methyl-1h-benzimidazol-5-yl}oxy)pyridin-2-yl]-n'-(2-morpholin-4-ylethyl)urea

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To 3-(tert-butyl)benzenisothiocyanate (1 eq) in methanol was added N-{4-[3-amino-4-(methylamino)phenoxy] (2-pyridyl)}[(2-morpholin-4-ylethyl)amino]carboxamide (1 eq) and the resulting mixture was stirred at ambient temperature for 16 h. LC MS showed formation of corresponding thiourea. To this was added anhydrous ferric chloride (1.5 eq) and stirred for 3 h. The reaction mixture was then concentrated to half its volume and brought to neutral pH with 1N sodium hydroxide. It was then extracted with ethyl acetate and the organic layer was washed with brine and dried with sodium sulfate. The crude material was then purified on preparative chromatography to yield N-[4-({2-[(3-tert-butylphenyl)amino]-1-methyl-1H-benzimidazol-5-yl}oxy)pyridin-2-yl]-N′-(2-morpholin-4-ylethyl)urea. MS: MH+=544.

후처리

  1. stirringstirred for 3 h
  2. concentrationThe reaction mixture was then concentrated to half its volume
  3. extractionIt was then extracted with ethyl acetate
  4. washthe organic layer was washed with brine
  5. dry with materialdried with sodium sulfate
  6. customThe crude material was then purified on preparative chromatography

출처 및 근거

ORD 기록
ord-9f0ea661367d4946875285155f636d03
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08415382B2

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