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Ammonium Chloride → Benzyl (2-amino-2-iminoethyl)carbamate hydrochloride

HRID 588707
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HRID 588707 반응식
[C:1]([CH2:3][NH:4][C:5](=[O:14])[O:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)#[N:2].C[O-].[Na+].[Cl-:18].[NH4+:19]>CO>[ClH:18].[NH2:2][C:1](=[NH:19])[CH2:3][NH:4][C:5](=[O:14])[O:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 25517Ammonium ChlorideHCID 244143Benzyl CyanomethylcarbamateHCID 10942334Sodium Methoxide

생성물 1

HCID 18943499Benzyl (2-amino-2-iminoethyl)carbamate hydrochloride수율 94%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To a solution of benzyl cyanomethylcarbamate (65.4 g, 344 mmol) in methanol was added sodium methoxide (7.86 mL, 34.4 mmol, 25% in methanol). The mixture was stirred at ambient temperature for 24 h. Ammonium chloride (18.4 g, 344 mmol) was then added. The mixture was stirred at ambient temperature for another 24 h, and concentrated under reduced pressure. The resulting material was added into hexane/ethyl acetate (1:1) (240 mL) and ether (50 mL), stirred at ambient temperature for 1.5 h, then filtered to provide the title compound as a pale colored solid (78.8 g, 94% yield). 1H NMR (400 MHz, DMSO-d6) δ 8.79 (br. s., 4H), 7.78 (t, J=5.5 Hz, 1H), 7.24-7.47 (m, 5H), 5.07 (s, 2H), 3.98 (d, J=5.5 Hz, 2H). MS m/z 208.2 (M+1), retention time=0.64 min.

후처리

  1. stirringThe mixture was stirred at ambient temperature for another 24 h
  2. concentrationconcentrated under reduced pressure
  3. additionThe resulting material was added into hexane/ethyl acetate (1:1) (240 mL) and ether (50 mL)
  4. stirringstirred at ambient temperature for 1.5 h
  5. filtrationfiltered

출처 및 근거

ORD 기록
ord-f31ae44ffef242ffb286f63b1e078c15
출처 데이터셋
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09227982B2

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