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

Hydrochloric Acid → Ethyl (4-{[5-bromo-4-(methylthio)pyrimidin-2-yl]amino}phenyl)(methyl)oxido-lambda-sulfanylidenecarbamate

HRID 1169785
노트
인쇄 미리보기

반응식

HRID 1169785 반응식
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([CH3:16])(=[N:10][C:11]([O:13][CH2:14][CH3:15])=[O:12])=[O:9])=[CH:4][CH:3]=1.[Br:17][C:18]1[C:19]([S:25][CH3:26])=[N:20][C:21](Cl)=[N:22][CH:23]=1.Cl>O1CCOCC1.C(#N)C.O>[CH2:14]([O:13][C:11]([N:10]=[S:8]([C:5]1[CH:6]=[CH:7][C:2]([NH:1][C:21]2[N:20]=[C:19]([S:25][CH3:26])[C:18]([Br:17])=[CH:23][N:22]=2)=[CH:3][CH:4]=1)([CH3:16])=[O:9])=[O:12])[CH3:15]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 313Hydrochloric AcidHCID 122647965-Bromo-2-chloro-4-(methylthio)pyrimidineHCID 44122615Ethyl [(4-aminophenyl)(methyl)oxido-sulfanylidene]carbamate

생성물 1

HCID 50742701Ethyl (4-{[5-bromo-4-(methylthio)pyrimidin-2-yl]amino}phenyl)(methyl)oxido-lambda-sulfanylidenecarbamate

시약·촉매·용매 2

HCID 312751,4-Dioxane용매
HCID 18373917
Acetonitrile--water (1/1)
용매

실험 절차

(RS)—S-(4-aminophenyl)-N-(ethoxycarbonyl)-S-methylsulfoximide (10 g, 42 mmol), 5-Bromo-2-chloro-4-methylsulfanyl-pyrimidine (10 g, 42 mmol) and 5M HCl (8 mL) in dioxane is stirred at 60° C. in 90% acetonitrile-water (250 mL) for 36 h. TLC indicates almost complete consumption of starting sulfoximine. The reaction mixture is poured into 800 mL of aq. NaHCO3, the pasty precipitate filtered, washed with 70 mL of EtOAc, then crude material (7.5 g) is recrystallized from boiling EtOH (200 mL) to yield 6 g (35%).

후처리

  1. customconsumption of starting sulfoximine
  2. additionThe reaction mixture is poured into 800 mL of aq. NaHCO3
  3. filtrationthe pasty precipitate filtered
  4. washwashed with 70 mL of EtOAc
  5. customcrude material (7.5 g) is recrystallized
  6. customto yield 6 g (35%)

출처 및 근거

ORD 기록
ord-35819b1124774f909e86bfe8a41f374c
출처 데이터셋
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07825128B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트