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

Water → 1-(3'-bromobiphenyl-2-yl)-1H-[1,2,4]triazole

HRID 478251
노트
인쇄 미리보기

반응식

HRID 478251 반응식
C([Sn](CCCC)(CCCC)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[N:12]1[CH:16]=[N:15][CH:14]=[N:13]1)CCC.[Br:25][C:26]1[CH:31]=[CH:30][CH:29]=[C:28](Br)[CH:27]=1.[Cl-].[Li+].O>CN(C)C=O.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.[Cu]I>[Br:25][C:26]1[CH:27]=[C:28]([C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=2[N:12]2[CH:16]=[N:15][CH:14]=[N:13]2)[CH:29]=[CH:30][CH:31]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 4

HCID 962WaterHCID 79271,3-DibromobenzeneHCID 433294Lithium ChlorideHCID 180013021-(2-tributylstannylphenyl)-1H-[1,2,4]triazole

생성물 1

HCID 180012791-(3'-bromobiphenyl-2-yl)-1H-[1,2,4]triazole

시약·촉매·용매 3

HCID 24350
Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
촉매
HCID 178418397HCID 178418397, 화합물촉매
HCID 6228Dimethylformamide용매

실험 절차

To a degassed solution of 1-(2-tributylstannylphenyl)-1H-[1,2,4]triazole (300 mg, 0.7 mmol) in N,N-dimethylformamide (5 ml) was added 1,3-dibromobenzene (0.17 ml, 1.4 mmol), tetrakis(triphenylphosphine)palladium(0) (40 mg, 35 μmol), lithium chloride (293 mg, 6.9 mmol), then copper(I) iodide (13 mg, 69 μmol), and the mixture was heated at 80° C. for 5 h. The reaction was cooled to ambient temperature then poured into water (20 ml) and extracted with dichloromethane (3×20 ml). The combined organic phases were dried over anhydrous magnesium sulfate, filtered and evaporated to dryness. Purification by chromatography on silica gel eluting with dichloromethane on a gradient of methanol (0-1%), then by preparative thin-layer chromatography on silica gel using 5% methanol in dichloromethane as eluent, gave 1-(3′-bromobiphenyl-2-yl)-1H-[1,2,4]triazole as a colourless gel: m/z (ES+) 300, 302 (M++H).

후처리

  1. extractionextracted with dichloromethane (3×20 ml)
  2. dry with materialThe combined organic phases were dried over anhydrous magnesium sulfate
  3. filtrationfiltered
  4. customevaporated to dryness
  5. customPurification by chromatography on silica gel eluting with dichloromethane on a gradient of methanol (0-1%)

출처 및 근거

ORD 기록
ord-682383c6bf5042b4ad93f3dea380ba38
출처 데이터셋
uspto-grants-2003_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06642229B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트