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Acetic Anhydride → 4-[1-[1-[Bis(4-fluorophenyl)methyl]piperazin-4-yl]-2-acetoxy-3-propanylthio]pyridine

HRID 1586700
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HRID 1586700 반응식
[SH:1][C:2]1[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.Cl[CH2:16][CH:17]([OH:40])[CH2:18][N:19]1[CH2:24][CH2:23][N:22]([CH:25]([C:33]2[CH:38]=[CH:37][C:36]([F:39])=[CH:35][CH:34]=2)[C:26]2[CH:31]=[CH:30][C:29]([F:32])=[CH:28][CH:27]=2)[CH2:21][CH2:20]1.[C:41](OC(=O)C)(=[O:43])[CH3:42]>CN(C=O)C.C(Cl)Cl.CO>[F:32][C:29]1[CH:30]=[CH:31][C:26]([CH:25]([C:33]2[CH:38]=[CH:37][C:36]([F:39])=[CH:35][CH:34]=2)[N:22]2[CH2:23][CH2:24][N:19]([CH2:18][CH:17]([O:40][C:41](=[O:43])[CH3:42])[CH2:16][S:1][C:2]3[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=3)[CH2:20][CH2:21]2)=[CH:27][CH:28]=1
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8

반응물 4

HCID 7918Acetic AnhydrideHCID 8471Triethylamine2회HCID 103851541-(1-Chloro-2-hydroxy-3-propanyl)-4-(4,4'-difluorobenzhydryl)piperazineHCID 178418431pyridine-4-thiol

생성물 1

HCID 541635124-[1-[1-[Bis(4-fluorophenyl)methyl]piperazin-4-yl]-2-acetoxy-3-propanylthio]pyridine수율 15.3%

시약·촉매·용매 3

HCID 887Methanol용매
HCID 6228Dimethylformamide용매2회
HCID 6344Dichloromethane용매3회

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온도
60 °C

실험 절차

To 4-mercaptopyridine (0.555 g, 5 mmol) in DMF (5 mL) with triethylamine (0.7 mL, 5 mmol) was added 1-(1-chloro-2-hydroxy-3-propanyl)-4-(4, 4'-difluorobenzhydryl) piperazine (1.91 g, 5 mmol) in DMF (15 mL) dropwise over 15 minutes under nitrogen. After 8 days, the reaction mixture was heated to 60° C. and stirred for 3 days. The DMF was removed in vacuo (1 mmHg, 60° C.) and to this crude material was added methylene chloride (5 mL), acetic anhydride (5 mmol, 0.47 mL) and triethylamine (5 mmol, 0.7 mL), and the mixture was stirred overnight. Silica gel flash chromatography using 10% methanol:methylene chloride gave an amber oil which was dissolved in methylene chloride (10 mL) and extracted with saturated sodium bicarbonate (2×20 mL), water (1×20 mL), saturated brine (1×20 mL) and dried over sodium sulfate. The solvent was removed in vacuo to give pure product (0.38 g, 15.3%); DCI/MS (M+1)= 498; 300 MHz 1H NMR (CDCl3)δ: 8.4(d,2H,J=1.25 Hz), 7.3 (m,4H), 7.2 (d,2H,J=1.4 Hz), 6.95 (m, 4H), 5.1 (m, 1H), 4.2 (s, 1H), 3.3 and 3.2 (d of d and d of d, 2H), 2.6 (d, 2H,J=6.1 Hz), 2.35 (m, 8H), 2.0 (s,3H).

후처리

  1. customThe DMF was removed in vacuo (1 mmHg, 60° C.) and to this crude material
  2. stirringthe mixture was stirred overnight
  3. extractionextracted with saturated sodium bicarbonate (2×20 mL), water (1×20 mL), saturated brine (1×20 mL)
  4. dry with materialdried over sodium sulfate
  5. customThe solvent was removed in vacuo

출처 및 근거

ORD 기록
ord-8bf179eeca7a4f2fadb4200bd644a342
출처 데이터셋
uspto-grants-1993_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05215987

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