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

Water → HCID 18454615, 화합물

HRID 1271641
노트
인쇄 미리보기

반응식

HRID 1271641 반응식
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12](Br)=[CH:11][C:10]=1[C:16]([CH3:19])([CH3:18])[CH3:17])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O.CCOC(C)=O.[CH3:27][N:28](C=O)C>[C-]#N.[Zn+2].[C-]#N.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:27]#[N:28])=[CH:11][C:10]=1[C:16]([CH3:19])([CH3:18])[CH3:17])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 184546141-Benzyloxy-4-bromo-2-tert-butyl-benzene

생성물 1

HCID 18454615HCID 18454615, 화합물

시약·촉매·용매 2

HCID 11186Zinc cyanide (Zn(CN)2)촉매
HCID 178418397
HCID 178418397, 화합물
촉매

반응 조건

온도
175 °C

실험 절차

1-Benzyloxy-4-bromo-2-tert-butyl-benzene made in example 47B (319 mg, 1 mmol), zinc cyanide (129 mg, 1.1 mmol) and Pd(PPh3)4 (34.5 mg, 0.03 mmol) were mixed in 4 mL of DMF then the mixture was heated to 175 ° C. in a microwave reactor (Emrys Optimizer by Personal Chemistry) for 5 minutes. The mixture was cooled to room temperature, and then water and EtOAc were added. The EtOAc extracts were dried over Na2SO4, concentrated and the resulting residue was purified by flash chromatography (5–10% EtOAc/Hexanes) to give the desired nitrile (64 mg). MS (DCI) m/z 238 (M+H)+.

후처리

  1. temperatureThe mixture was cooled to room temperature
  2. dry with materialThe EtOAc extracts were dried over Na2SO4
  3. concentrationconcentrated
  4. customthe resulting residue was purified by flash chromatography (5–10% EtOAc/Hexanes)

출처 및 근거

ORD 기록
ord-714d2e37992c4086b7d06e9833b705f4
출처 데이터셋
uspto-grants-2007_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07205409B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트