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

Hydrochloric Acid → 2-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

HRID 30336
노트
인쇄 미리보기

반응식

HRID 30336 반응식
Cl.[NH2:2][C:3]([NH:5][C:6]1[S:7][C:8]([C:27]2[CH:32]=[CH:31][C:30]([O:33][CH3:34])=[CH:29][CH:28]=2)=[CH:9][C:10]=1[C:11]([NH:13][C@H:14]1[CH2:19][CH2:18][CH2:17][N:16](C(OC(C)(C)C)=O)[CH2:15]1)=[O:12])=[O:4]>CO.O1CCOCC1>[NH2:2][C:3]([NH:5][C:6]1[S:7][C:8]([C:27]2[CH:28]=[CH:29][C:30]([O:33][CH3:34])=[CH:31][CH:32]=2)=[CH:9][C:10]=1[C:11]([NH:13][C@H:14]1[CH2:19][CH2:18][CH2:17][NH:16][CH2:15]1)=[O:12])=[O:4]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 313Hydrochloric Acid2회HCID 69271788tert-Butyl(3S)-3-({[2-[(aminocarbonyl)amino]-5-(4-methoxyphenyl)-3-thienyl]carbonyl}amino)piperidine-1-carboxylate

생성물 1

HCID 115090482-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide수율 92.7%

시약·촉매·용매 2

HCID 887Methanol용매
HCID 31275
1,4-Dioxane
용매

실험 절차

hydrochloride. To a stirred solution of tert-butyl(3S)-3-({[2-[(aminocarbonyl)amino]-5-(4-methoxyphenyl)-3-thienyl]carbonyl}amino)piperidine-1-carboxylate (0.70 g, 1.47 mmol) in anhydrous MeOH (5.0 mL) was added 4.0N HCl in 1,4-dioxane (10 mL). A small amount of precipitate forms shortly and the reaction is stirred for an additional 4 h at room temperature. The solvent was removed under vacuum. The residue was redissolved in methanol and concentrated under vacuum (2×) to yield 0.51 g (85%) of a light yellow solid. 1H NMR (d6-DMSO δ 10.9, s, 1H; δ 9.39, br s, 1H; δ 9.20, br s, 1H; δ 8.37, d, 1H; δ 7.88, s, 1H; δ 7.49, d, 2H; δ 6.96, d, 2H; δ 6.97, br s, 2H; δ 4.24, m, 1H; δ 3.77, s, 3H; δ 3.29, m, 1H; δ 3.11, m, 1H; δ 2.93, m, 2H; δ 1.91, m, 2H; δ 1.68, m, 2H), LC/MS (APCI, ES, M+H=6875).

후처리

  1. customThe solvent was removed under vacuum
  2. dissolutionThe residue was redissolved in methanol
  3. concentrationconcentrated under vacuum (2×)

출처 및 근거

ORD 기록
ord-4424931cc2734e1cb093bf5b771d336f
출처 데이터셋
uspto-grants-2008_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07423061B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트