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

Malononitrile → Methyl 3,3-dicyano-2,2-dimethylpropanoate

HRID 400550
노트
인쇄 미리보기

반응식

HRID 400550 반응식
[C:1](#[N:5])[CH2:2][C:3]#[N:4].CC(C)([O-])C.[K+].Br[C:13]([CH3:19])([CH3:18])[C:14]([O:16][CH3:17])=[O:15]>C1COCC1>[C:3]([CH:2]([C:1]#[N:5])[C:13]([CH3:19])([CH3:18])[C:14]([O:16][CH3:17])=[O:15])#[N:4]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 8010MalononitrileHCID 90097Methyl 2-bromo-2-methylpropionateHCID 23665647Potassium tert-butoxide

생성물 1

HCID 86657403Methyl 3,3-dicyano-2,2-dimethylpropanoate

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

반응 조건

온도
50 °C

실험 절차

A 12 liter 3 neck round bottom flask equipped with a mechanical stirrer, thermometer, condenser and nitrogen bubbler, was charged with malononitrile (251 g, 3.802 moles) and THF (2 liters). Potassium t-butoxide (1M THF, 3.802 L, 3.802 moles) was then added. The mixture was stirred at 50° C. for 30 min. Methyl 2-bromoisobutyrate (688 g, 3.80 moles) was added and the reaction mixture was stirred overnight at 50° C. The reaction was partitioned between aqueous 1N HCl and EtOAc. The organic phase was washed with brine, dried over MgSO4, filtered and concentrated to give the indicated product. 1H NMR (400 MHz, CD3CN): δ 4.35 (s, 1H); 3.73 (s, 3H); 1.43 (s, 6H).

후처리

  1. stirringthe reaction mixture was stirred overnight at 50° C
  2. customThe reaction was partitioned between aqueous 1N HCl and EtOAc
  3. washThe organic phase was washed with brine
  4. dry with materialdried over MgSO4
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customto give the indicated product

출처 및 근거

ORD 기록
ord-4c3d11e499284575b969bb24664310e1
출처 데이터셋
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08741910B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트