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

(S)-(-)-Lactamide → HCID 86717529, 화합물

HRID 712069
노트
인쇄 미리보기

반응식

HRID 712069 반응식
[OH:1][C@@H:2]([CH3:6])[C:3](N)=O.F[B-](F)(F)F.C([O+](CC)CC)C.[NH2:19][C:20]1[C:21]([NH:29][C@@H:30]2[CH2:35][O:34][C@@H:33]([CH2:36][OH:37])[CH2:32][CH2:31]2)=[C:22]2[S:28][CH:27]=[CH:26][C:23]2=[N:24][CH:25]=1>C1COCC1.C(O)C.CO>[OH:37][CH2:36][C@@H:33]1[O:34][CH2:35][C@@H:30]([N:29]2[C:21]3=[C:22]4[S:28][CH:27]=[CH:26][C:23]4=[N:24][CH:25]=[C:20]3[N:19]=[C:3]2[C@@H:2]([OH:1])[CH3:6])[CH2:31][CH2:32]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 3

HCID 1530235(S)-(-)-LactamideHCID 2723982Triethyloxonium tetrafluoroborateHCID 86717520HCID 86717520, 화합물

생성물 1

HCID 86717529HCID 86717529, 화합물수율 58%

시약·촉매·용매 3

HCID 702Ethanol용매HCID 887Methanol용매
HCID 8028
Tetrahydrofuran
용매

실험 절차

A mixture of (2S)-2-hydroxypropanamide (86.6 mg, 0.972 mmol) and triethyloxonium tetrafluoroborate (185 mg, 0.972 mmol) in THF (2 mL) was stirred at room temperature for 2 h. The solvent was removed and the residue dissolved in ethanol (0.50 mL) and added to a suspension of {(2R,5S)-5-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]tetrahydro-2H-pyran-2-yl}methanol (65.0 mg, 0.233 mmol) in ethanol (1.8 mL). The mixture was stirred at 80° C. for 1 h. The mixture was cooled to room temperature, diluted with methanol, and purified with prep-LCMS (XBridge C18 column, eluting with a gradient of acetonitrile/water containing 0.1% ammonium hydroxide, at flow rate of 60 mL/min) to give the desired product as white solid (45 mg, 58%). LCMS calculated for C16H20N3O3S (M+H)+: m/z=334.1. Found: 334.

후처리

  1. customThe solvent was removed
  2. dissolutionthe residue dissolved in ethanol (0.50 mL)
  3. stirringThe mixture was stirred at 80° C. for 1 h
  4. temperatureThe mixture was cooled to room temperature
  5. custompurified with prep-LCMS (XBridge C18 column
  6. washeluting with a gradient of acetonitrile/water containing 0.1% ammonium hydroxide, at flow rate of 60 mL/min)

출처 및 근거

ORD 기록
ord-9f401e17b267446e9b682a0297cba2c1
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09181271B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트