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

Hydrochloric Acid → (4aR,7aR)-6-(5-Fluoropyrimidin-2-yl)-7a-(2-thienyl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine hydrochloride

HRID 338167
노트
인쇄 미리보기

반응식

HRID 338167 반응식
[F:1][C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:16][C@@H:15]3[C@@:10]([C:18]4[S:19][CH:20]=[CH:21][CH:22]=4)([N:11]=[C:12]([NH2:17])[S:13][CH2:14]3)[CH2:9]2)=[N:6][CH:7]=1.COC(C)(C)C.[ClH:29]>C(OCC)(=O)C>[ClH:29].[F:1][C:2]1[CH:7]=[N:6][C:5]([N:8]2[CH2:16][C@@H:15]3[C@@:10]([C:18]4[S:19][CH:20]=[CH:21][CH:22]=4)([N:11]=[C:12]([NH2:17])[S:13][CH2:14]3)[CH2:9]2)=[N:4][CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 15413tert-Butyl methyl etherHCID 78318766(4aR,7aR)-6-(5-Fluoropyrimidin-2-yl)-7a-(2-thienyl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine

생성물 1

HCID 78318765(4aR,7aR)-6-(5-Fluoropyrimidin-2-yl)-7a-(2-thienyl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine hydrochloride수율 97.3%

시약·촉매·용매 1

HCID 8857
Ethyl Acetate
용매

실험 절차

A solution of (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(2-thienyl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine (3.8 g, 11.33 mmol) in a solution of methyl-t-butyl ether (50 mL) and ethyl acetate (10 mL) is treated with hydrogen chloride (1 M in diethyl ether) (13.6 mL, 13.6 mmol). The mixture is stirred for 10 minutes, concentrated and the product is dried under vacuum to give the title compound (4.1 g, 97%). ES/MS (m/e): 336 (M+H). Chiral analysis: (Column: Chiralpak AS (5u), C18 4.6×100 mm; eluent: 25% methanol with 0.2% dimethylethylamine) in CO2; flow 2.5 mL/min at UV 220 nm) to confirm the title compound, (>99% ee, Rt=1.44 min)

후처리

  1. concentrationconcentrated
  2. customthe product is dried under vacuum

출처 및 근거

ORD 기록
ord-3ac09b33d25b4949bf5d21d35bdc88ca
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08889856B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트