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

Sodium triacetoxyborohydride → 1-{2-[4-({[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methyl}amino)-1-piperidinyl]ethyl}-7-fluoro-1,5-naphthyridin-2(1H)-one

HRID 1881732
노트
인쇄 미리보기

반응식

HRID 1881732 반응식
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][N:10]2[C:19]3[C:14](=[N:15][CH:16]=[C:17]([F:20])[CH:18]=3)[CH:13]=[CH:12][C:11]2=[O:21])[CH2:4][CH2:3]1.[Cl:22][C:23]1[CH:24]=[C:25]([CH:31]=O)[CH:26]=[N:27][C:28]=1[CH2:29][OH:30].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCCl>[Cl:22][C:23]1[CH:24]=[C:25]([CH2:31][NH:1][CH:2]2[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]3[C:19]4[C:14](=[N:15][CH:16]=[C:17]([F:20])[CH:18]=4)[CH:13]=[CH:12][C:11]3=[O:21])[CH2:6][CH2:7]2)[CH:26]=[N:27][C:28]=1[CH2:29][OH:30]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 5049666Sodium triacetoxyborohydrideHCID 578151991-[2-(4-amino-1-piperidinyl)ethyl]-7-fluoro-1,5-naphthyridin-2(1H)-one2회HCID 580017855-Chloro-6-(hydroxymethyl)-3-pyridinecarbaldehyde2회

생성물 1

HCID 468463861-{2-[4-({[5-chloro-6-(hydroxymethyl)-3-pyridinyl]methyl}amino)-1-piperidinyl]ethyl}-7-fluoro-1,5-naphthyridin-2(1H)-one

시약·촉매·용매 1

HCID 11
1,2-Dichloroethane
용매

실험 절차

A mixture of 1-[2-(4-amino-1-piperidinyl)ethyl]-7-fluoro-1,5-naphthyridin-2(1H)-one (Intermediate 21: 38.9 mg, 0.134 mmol) and 5-chloro-6-(hydroxymethyl)-3-pyridinecarbaldehyde (Intermediate 39: 23 mg, 0.134 mmol) in 1,2-Dichloroethane (2.5 ml) was stirred under N2 at room temperature for 1 h. Then, sodium triacetoxy borohydride (85 mg, 0.402 mmol) was added and the mixture was stirred at RT overnight. LCMS showed desired compound and imine. An excess of sodium triacetoxy borohydride (85 mg, 0.401 mmol) was added and the mixture was stirred at rt 6 h. LCMS showed desired compound and imine. An excess of sodium triacetoxy borohydride (85 mg, 0.401 mmol) was added. The mixture was stirred at room temperature overnight. LCMS showed desired compound and imine. An excess of sodium triacetoxy borohydride (85 mg, 0.401 mmol) was added and the mixture was stirred at room temperature overnight. LCMS did not show imine and showed desired compound. NaHCO3 sat. was added and the aqueous phase was extracted twice with DCM. The combined organic phases were washed with sat. NaCl, dried over anhydrous Na2SO4 and concentrated under reduced pressure. The residue was purified by Flash-Master chromatography on a 2 g silica gel cartridge using DCM/MeOH 95:5 as eluent to obtain two fractions. The first was 9 mg of white solid consistent with the desired compound by HNMR. The second was 4 mg white solid consistent with desired compound but not enough pure by HNMR and LCMS. This second fraction was discarded.

후처리

  1. stirringthe mixture was stirred at RT overnight

출처 및 근거

ORD 기록
ord-630c7f47ac5449b3bfefdbeaa6929f6d
출처 데이터셋
uspto-grants-2012_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08318940B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트