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

Nitrogen → 1-(5-Fluoro-hexyl)-4-nitro-1H-pyrazole

HRID 2064948
노트
인쇄 미리보기

반응식

HRID 2064948 반응식
N#N.[N+:3]([C:6]1[CH:7]=[N:8][N:9]([CH2:11][CH2:12][CH2:13][CH2:14][CH:15](O)[CH3:16])[CH:10]=1)([O-:5])=[O:4].[F:18]C(F)(S(F)(=O)=O)C(F)(F)C(F)(F)C(F)(F)F.F.F.F.C(N(CC)CC)C>C1COCC1.CCN(CC)CC>[F:18][CH:15]([CH3:16])[CH2:14][CH2:13][CH2:12][CH2:11][N:9]1[CH:10]=[C:6]([N+:3]([O-:5])=[O:4])[CH:7]=[N:8]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 947NitrogenHCID 67814Perfluoro-1-butanesulfonyl fluorideHCID 175505N,N-Diethylethanamine trihydrofluorideHCID 669286716-(4-Nitro-pyrazol-1-yl)-hexan-2-ol

생성물 1

HCID 669284931-(5-Fluoro-hexyl)-4-nitro-1H-pyrazole

시약·촉매·용매 2

HCID 8028Tetrahydrofuran
용매
HCID 8471Triethylamine용매

실험 절차

In a flame dried round-bottomed flask equipped with a magnetic stir bar and under inert atmosphere (N2), a solution of 6-(4-nitro-pyrazol-1-yl)-hexan-2-ol (213 mg, 1.00 mmol) in THF (3.0 mL) was treated at rt with perfluoro-1-butanesulfonyl fluoride (0.36 mL, 2.00 mmol), triethylamine trihydrofluoride (0.33 mL, 2.00 mmol) and Et3N and the reaction mixture was stirred at rt overnight. Purification of the residue by FC (80:10 hept-EA) gave the title compound. TLC: rf (80:20 hept-EA)=0.28. LC-MS-conditions 02: tR=0.97 min; [M+H]+=216.20.

후처리

  1. customPurification of the residue by FC (80:10 hept-EA)

출처 및 근거

ORD 기록
ord-951d4960fb79417bac4b5b89f3345ec0
출처 데이터셋
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08288419B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트