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

Methanol → (NE,S)-2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methylidene]propane-2-sulfinamide

HRID 1427500
노트
인쇄 미리보기

반응식

HRID 1427500 반응식
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:14]=[CH:13][C:12]([CH:15]=O)=[CH:11][N:10]=2)=[CH:5][CH:4]=1.[CH3:19][C:20]([S@@:23]([NH2:25])=[O:24])([CH3:22])[CH3:21].CO.C([O-])(O)=O.[Na+]>ClCCl.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC>[F:1][C:2]([F:18])([F:17])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:14]=[CH:13][C:12](/[CH:15]=[N:25]/[S@:23]([C:20]([CH3:22])([CH3:21])[CH3:19])=[O:24])=[CH:11][N:10]=2)=[CH:5][CH:4]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 887MethanolHCID 516892Sodium BicarbonateHCID 11355477tert-Butylsulfinamide, (S)-(-)-HCID 219363042-(4-Trifluoromethyl-phenyl)-pyrimidine-5-carbaldehyde

생성물 1

HCID 140585864(NE,S)-2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methylidene]propane-2-sulfinamide수율 99.3%

시약·촉매·용매 2

HCID 76524
Titanium tetraethoxide
촉매
HCID 6344Dichloromethane용매

실험 절차

2-(4-trifluoromethyl-phenyl)-pyrimidine-5-carbaldehyde (35.25 g, 138.9 mmol) was suspended in anhydrous dichloromethane (470 mL) in a 3-necked 1 L flask with overhead stirrer, condenser and internal temperature. (S)-(−)-2-methyl-2-propanesulfinamide (17.13 g, 141.3 mmol) was added followed by titanium(IV) ethoxide (37.3 mL, 178 mmol). This gave a yellow solution which was heated to reflux for 3 h. The heating was discontinued and the reaction placed in an ice bath. When the internal temperature was −10° C., anhydrous methanol (246 mL) was added followed by sat. aq. NaHCO3 (71 mL). Solid crashed out which was stirred for 2 h. The solids were filtered off with a Buchner funnel using ethyl acetate to aid in transfer. Several portions of ethyl acetate were used to rinse the solid. The solid was added back into the 3-necked flask and mechanically stirred for 20 min with ethyl acetate. This was refiltered. This process was repeated to remove most of the product. The filtrate was dried over Na2SO4 and concentrated in vacuo to give (S)-2-methyl-propane-2-sulfinic acid 1-[2-(4-trifluoromethyl-phenyl)-pyrimidin-5-yl]-meth-(E)-ylideneamide (49.00 g, 99%) as a white solid. 1H NMR (400 MHz, CDCl3, δ): 9.25 (s, 2H) 8.70 (s, 1H) 8.66 (d, J=8.2 Hz, 2H) 7.79 (d, J=8.2 Hz, 2H) 1.31 (s, 9H); MS (M+1): 356.1.

후처리

  1. customThis gave a yellow solution which
  2. temperaturewas heated
  3. temperatureto reflux for 3 h
  4. customthe reaction placed in an ice bath
  5. customwas −10° C.
  6. filtrationThe solids were filtered off with a Buchner funnel
  7. washto rinse the solid
  8. additionThe solid was added back into the 3-necked flask
  9. stirringmechanically stirred for 20 min with ethyl acetate
  10. customto remove most of the product
  11. dry with materialThe filtrate was dried over Na2SO4
  12. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-6226850983ec4f2aae1ec3b7870fee61
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08933104B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트