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

Diisopropylethylamine → trans-2-(4-Chloro-benzenesulfonylamino)-cyclohexanecarboxylic acid [cyano-(3-hydroxy-phenyl)-methyl]-amide

HRID 990914
노트
인쇄 미리보기

반응식

HRID 990914 반응식
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C@@H:12]2[CH2:17][CH2:16][CH2:15][CH2:14][C@H:13]2[C:18]([OH:20])=O)(=[O:10])=[O:9])=[CH:4][CH:3]=1.F[B-](F)(F)F.C[N+](C)=C(N(C)C)O.C(N(C(C)C)C(C)C)C.[NH2:43][CH:44]([C:47]1[CH:52]=[CH:51][CH:50]=[C:49]([OH:53])[CH:48]=1)[C:45]#[N:46]>CC#N>[C:45]([CH:44]([NH:43][C:18]([C@@H:13]1[CH2:14][CH2:15][CH2:16][CH2:17][C@H:12]1[NH:11][S:8]([C:5]1[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][CH:6]=1)(=[O:9])=[O:10])=[O:20])[C:47]1[CH:52]=[CH:51][CH:50]=[C:49]([OH:53])[CH:48]=1)#[N:46]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 81531DiisopropylethylamineHCID 13074157Tetramethyluronium tetrafluoroborateHCID 16793683Amino-(3-hydroxy-phenyl)-acetonitrileHCID 69656371Trans-2-(4-Chloro-benzenesulfonylamino)-cyclohexanecarboxylic acid

생성물 1

HCID 10182237trans-2-(4-Chloro-benzenesulfonylamino)-cyclohexanecarboxylic acid [cyano-(3-hydroxy-phenyl)-methyl]-amide

시약·촉매·용매

1
HCID 6342Acetonitrile용매2회

실험 절차

Trans-2-(4-Chloro-benzenesulfonylamino)-cyclohexanecarboxylic acid (0.095 g, 0.3 mmol) is dissolved in CH3CN. O-1,2-Dihydro-2-oxo-1-pyridyl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate (TPTU, 90.2 mg, 0.3 mmol), N-Ethyldiisopropylamine (DIPEA, 0.208 ml, 1.21 mmol) are added. The amino-(3-hydroxy-phenyl)-acetonitrile in CH3CN (1.5 ml) is added. The mixture is stirred at RT for 16 hours. The solution is filtered and concentrated. The residue is dissolved in CH2Cl2 (15 mL) and extracted with NH4Cl (2×10 ml). The H2O layers are extracted with CH2Cl2 (2×15 ml). The collected CH2Cl2 layers are dried over MgSO4 and evaporated. The solid is purified by preparative HPLC.

후처리

  1. filtrationThe solution is filtered
  2. concentrationconcentrated
  3. dissolutionThe residue is dissolved in CH2Cl2 (15 mL)
  4. extractionextracted with NH4Cl (2×10 ml)
  5. extractionThe H2O layers are extracted with CH2Cl2 (2×15 ml)
  6. dry with materialThe collected CH2Cl2 layers are dried over MgSO4
  7. customevaporated
  8. customThe solid is purified by preparative HPLC

출처 및 근거

ORD 기록
ord-caf89cdf3d194145a88fa364620632ac
출처 데이터셋
uspto-grants-2002_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06462076B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트