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

HRID 401606
ノート
印刷プレビュー

反応式

HRID 401606 の反応式
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
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 3

HCID 75297IsothiocyanatotrimethylsilaneHCID 81531DiisopropylethylamineHCID 2734891Methyl tryptophanate hydrochloride

生成物 1

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

試薬・触媒・溶媒 4

HCID 142844-(Dimethylamino)pyridine触媒
HCID 176
Acetic Acid
溶媒
HCID 6344Dichloromethane溶媒
HCID 8857Ethyl Acetate溶媒

実験手順

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).

後処理

  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

出典と根拠

ORDレコード
ord-80e394ff567d4fb39fdd86cc698dd1a5
出典データセット
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08741942B2

反応ノート

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