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

Sodium Hydroxide → 4'-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-ylmethyl)-amino]-biphenyl-2-sulfonic acid tert-butylamide

HRID 2373301
노트
인쇄 미리보기

반응식

HRID 2373301 반응식
[C:1]([NH:5][S:6]([C:9]1[C:10]([C:15]2[CH:20]=[CH:19][C:18]([NH2:21])=[CH:17][CH:16]=2)=[CH:11][CH:12]=[CH:13][CH:14]=1)(=[O:8])=[O:7])([CH3:4])([CH3:3])[CH3:2].O.C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH3:34][C:35]1([CH3:48])[O:47][C:39]2[C:40]([CH3:46])=[N:41][CH:42]=[C:43]([CH:44]=O)[C:38]=2[CH2:37][O:36]1.[BH4-].[Na+].[OH-].[Na+]>ClCCl.C1(C)C=CC=CC=1>[C:1]([NH:5][S:6]([C:9]1[C:10]([C:15]2[CH:20]=[CH:19][C:18]([NH:21][CH2:44][C:43]3[CH:42]=[N:41][C:40]([CH3:46])=[C:39]4[O:47][C:35]([CH3:48])([CH3:34])[O:36][CH2:37][C:38]=34)=[CH:17][CH:16]=2)=[CH:11][CH:12]=[CH:13][CH:14]=1)(=[O:8])=[O:7])([CH3:4])([CH3:2])[CH3:3]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 14798Sodium HydroxideHCID 521998p-Toluenesulfonic acid monohydrateHCID 4311764Sodium borohydride2회HCID 10804475N-tert-butyl-4'-aminobiphenyl-2-sulfonamideHCID 156199462,2,8-trimethyl-4H-(1,3)dioxino(4,5-c)pyridine-5-carbaldehyde

생성물 1

HCID 59852520
4'-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-ylmethyl)-amino]-biphenyl-2-sulfonic acid tert-butylamide
수율 24%

시약·촉매·용매 2

HCID 1140Toluene용매HCID 6344Dichloromethane용매

반응 조건

온도
120 °C

실험 절차

To a 250 mL three neck flask fitted with a condenser and Dean-Stark apparatus was added 4′-amino-biphenyl-2-sulfonic acid tert-butylamide (1.22 g, 4.0 mmol), p-toluenesulfonic acid monohydrate (152 mg, 0.8 mmol), 2,2,8-trimethyl-4H-[1,3]dioxino [4,5-c]pyridine-5-carbaldehyde (995 mg, 4.8 mmol) and toluene (120 ml). The reaction mixture was stirred at 120° C. under nitrogen atmosphere for 7 hours before concentrating to dryness. The resulting solid was then dissolved in acetic acid (20 mL), cooled to 0° C., followed by a slow addition of sodium borohydride (529 mg, 14 mmol). After the addition of sodium borohydride, dichloromethane (30 mL) was then added to the reaction mixture and stirring was continued at room temperature for an additional 3 hours. Sodium hydroxide (5 N) was added to neutralize the solution, and the reaction mixture was extracted with ethyl acetate, dried over MgSO4, filtered and evaporated. The crude mixture was purified by column chromatography on silica gel using a mixture of ethyl acetate and hexane (1:1) as eluant, to give 4′-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-ylmethyl)-amino]-biphenyl-2-sulfonic acid tert-butylamide (1) (0.457 g, 24% yield) as a colorless solid.

후처리

  1. concentrationbefore concentrating to dryness
  2. dissolutionThe resulting solid was then dissolved in acetic acid (20 mL)
  3. temperaturecooled to 0° C.
  4. additionwas then added to the reaction mixture
  5. stirringstirring
  6. waitwas continued at room temperature for an additional 3 hours
  7. extractionthe reaction mixture was extracted with ethyl acetate
  8. dry with materialdried over MgSO4
  9. filtrationfiltered
  10. customevaporated
  11. customThe crude mixture was purified by column chromatography on silica gel using
  12. additiona mixture of ethyl acetate and hexane (1:1) as eluant

출처 및 근거

ORD 기록
ord-e8ebec40eba24944bd79849d82a35b6c
출처 데이터셋
uspto-grants-2008_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07459468B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트