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

Acetic Acid → HCID 67543426, 화합물

HRID 2355827
노트
인쇄 미리보기

반응식

HRID 2355827 반응식
CO[C:3](=O)[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([O:10][CH2:11][CH:12]2[CH2:17][CH2:16][N:15]([CH:18]([CH3:20])[CH3:19])[CH2:14][CH2:13]2)[CH:5]=1.COC(=O)C1C=CC=C(OC[CH:33]2[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]2)C=1.[C:40](O)(=O)[CH3:41].[BH-](OC(C)=O)(OC(C)=O)O[C:46](C)=O.[Na+].[CH2:58]1[CH2:62][O:61][CH2:60][CH2:59]1>C(Cl)Cl.CC(C)=O>[CH:18]([N:15]1[CH2:14][CH2:13][CH:12]([CH2:11][O:10][C:6]2[CH:5]=[C:4]3[C:9]([C@H:38]([C:33]4[CH:59]=[CH:58][C:62]([O:61][CH3:60])=[CH:41][CH:40]=4)[CH2:37][N:36]4[CH2:35][CH2:34][CH2:46][C@H:3]43)=[CH:8][CH:7]=2)[CH2:17][CH2:16]1)([CH3:19])[CH3:20]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 5049666Sodium triacetoxyborohydrideHCID 26191064Methyl 3-[(piperidin-4-yl)methoxy]benzoateHCID 675431453-(1-Isopropyl-piperidin-4-ylmethoxy)-benzoic acid methyl ester

생성물 1

HCID 67543426HCID 67543426, 화합물수율 81%

시약·촉매·용매 2

HCID 180Acetone용매HCID 6344Dichloromethane용매

실험 절차

3-(1-Isopropyl-piperidin-4-ylmethoxy)-benzoic acid methyl ester. A mixture of 3-(piperidin-4-ylmethoxy)-benzoic acid methyl ester (6.82 g, 27.4 mmol), acetone (40 mL), acetic acid (1.6 mL, 27.4 mmol), and NaB(OAc)3H (18.4 g, 86.8 mmol) in THF (110 mL) was stirred for 4.5 h. The mixture was diluted with CH2Cl2, washed with 1 N NaOH and brine, dried (Na2CO3), and concentrated to give the crude product. Chromatographic purification (EtOAc/hexanes) yielded the desired product as a pale yellow oil (6.43 g, 81%). MS: exact mass calcd for C17H25NO3, 291.2; m/z found, 292.5 [M+H]+. 1H NMR (MeOH-d4): 7.55 (dd, J=1.0, 7.7, 1H), 7.49 (m, 1H), 7.33 (m, 1H), 7.12 (m, 1H), 3.87 (s, 3H), 3.82 (d, J=6.2, 2H), 2.91 (d, J=11.6, 2H), 2.69 (heptet, J=6.6, 1H), 2.18 (m, 2H), 1.83 (d, J=13.2, 2H), 1.77 (m, 1H), 1.40 (m, 2H), 1.05 (d, J=6.6, 6H).

후처리

  1. washwashed with 1 N NaOH and brine
  2. dry with materialdried (Na2CO3)
  3. concentrationconcentrated
  4. customto give the crude product
  5. customChromatographic purification (EtOAc/hexanes)

출처 및 근거

ORD 기록
ord-734dc3b864cf4f80a35fb9ce09297fa8
출처 데이터셋
uspto-grants-2010_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07754882B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트