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Isothiocyanatotrimethylsilane → 5-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone

HRID 401606
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인쇄 미리보기

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HRID 401606 반응식
Cl.CO[C:4](=[O:17])[C@H:5]([CH2:7][C:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[NH:10][CH:9]=1)[NH2:6].C(N(C(C)C)CC)(C)C.C[Si]([N:31]=[C:32]=[S:33])(C)C>ClCCl.CN(C1C=CN=CC=1)C.CC(O)=O.CCOC(C)=O>[NH:10]1[C:11]2[C:16](=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]([CH2:7][CH:5]2[NH:6][C:32](=[S:33])[NH:31][C:4]2=[O:17])=[CH:9]1
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참가 물질

8

반응물 3

HCID 75297IsothiocyanatotrimethylsilaneHCID 81531DiisopropylethylamineHCID 2734891Methyl tryptophanate hydrochloride

생성물 1

HCID 53717615-(1H-Indol-3-ylmethyl)-2-thioxo-4-imidazolidinone수율 94%

시약·촉매·용매 4

HCID 142844-(Dimethylamino)pyridine촉매
HCID 176
Acetic Acid
용매
HCID 6344Dichloromethane용매
HCID 8857Ethyl Acetate용매

실험 절차

To a solution of L-tryptophan methyl ester hydrochloride (0.257 mg, 0.001 mol.) in dichloromethane (10 mL) was added DMAP (5.0 mg), diisopropylethylamine (10 eq.) and then trimethylsilylisothiocyanate (1.3 gm, 0.01 mol.). The reaction mixture was stirred at room temperature for 24 hr, and then concentrated. The residue obtained was dissolved in AcOH (10 mL) and refluxed for 6 h. The reaction mixture was concentrated and dried under vacuum. The solid obtained was suspended in EtOAc, filtered, washed with EtOAc, and dried under vacuum to give 893-18 (230 mg, 94%): mp 206-210° C., 1H NMR (500 MHz, DMSO-d6): 3.00—yield 34%, 1H NMR (500 MHz, CDCl3): 3.24-3.33 (m, 2H), 4.23-4.26 (m, 1H), 7.01 (dd, J=8.0 and 7.0 Hz, 1H), 7.09 (dd, J=8.0 and 7.0 Hz, 1H), 7.23 (d, J=2.0 Hz, 1H), 7.37 (d, J=8.0 Hz, 1H), 7.50 (d, J=8.0 Hz, 1H), 8.50 (s, 2H), 11.08 (s, 1H).

후처리

  1. concentrationconcentrated
  2. customThe residue obtained
  3. temperaturerefluxed for 6 h
  4. concentrationThe reaction mixture was concentrated
  5. customdried under vacuum
  6. customThe solid obtained
  7. filtrationfiltered
  8. washwashed with EtOAc
  9. customdried under vacuum

출처 및 근거

ORD 기록
ord-80e394ff567d4fb39fdd86cc698dd1a5
출처 데이터셋
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08741942B2

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