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

Hydrochloric Acid → HCID 57741106, 화합물

HRID 1092434
노트
인쇄 미리보기

반응식

HRID 1092434 반응식
Cl.[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[C@@H:14]([OH:15])[C@H:13]([CH2:16][OH:17])[C@@H:12]([OH:18])[C@H:11]([OH:19])[C@H:10]2[OH:20])=[CH:5][C:4]=1[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([CH2:28][CH3:29])=[CH:24][CH:23]=1.[CH3:30][C:31]#N.[CH3:33]O>CC(C)=O>[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[C@H:14]3[O:15][C:31]([CH3:30])([CH3:33])[O:17][CH2:16][C@@H:13]3[C@@H:12]([OH:18])[C@H:11]([OH:19])[C@H:10]2[OH:20])=[CH:5][C:4]=1[CH2:21][C:22]1[CH:23]=[CH:24][C:25]([CH2:28][CH3:29])=[CH:26][CH:27]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6342AcetonitrileHCID 42622954HCID 42622954, 화합물

생성물 1

HCID 57741106HCID 57741106, 화합물수율 75.3%

시약·촉매·용매 1

HCID 180Acetone용매

실험 절차

1N HCl (5 mL) was added dropwised into the solution of (1R,2R,3S,4R,5R,6S)-4-(4-chloro-3-(4-ethylbenzyl)phenyl)-6-(hydroxymethyl)cyclohexane-1,2,3,5-tetraol (5, R=Et, 1 g, 2.46 mmol) in MeOH (80 mL) and acetone (20 mL), and stirred overnight, then the mixture was evaporated to dryness. The residue was purified by preparative HPLC to give the target compound (864 mg, white solid, yield of 75.3%). 1H-NMR (400 MHz, CD3COCD3): δ 7.26-7.29 (2H, m), 7.10-7.16 (5H, m), 3.74-4.21 (6H, m), 3.46-3.51 (1H, m), 3.35-3.37 (1H, m), 2.56-2.66 (3H, m), 1.72-1.75 (1H, m), 1.28 (3H, s), 1.18 (3H, t, J=7.6 Hz), 1.13 (3H, s); MS (ESI+): 447 [M+H]+, 488 [M+H+CH3CN]+, 910 [2M+NH4]+, 491 [M+HCOO]−, 937 [2M+HCOO]−.

후처리

  1. customthe mixture was evaporated to dryness
  2. customThe residue was purified by preparative HPLC
  3. customto give the target compound (864 mg, white solid, yield of 75.3%)

출처 및 근거

ORD 기록
ord-0645170dfe35410a8078a3691f3518ab
출처 데이터셋
uspto-grants-2012_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08129434B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트