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1-Adamantanecarbonyl chloride → 1-Adamantanecarbonyl Cyanamide

HRID 4491
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HRID 4491 반응식
[C:1]12([C:11](Cl)=[O:12])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[N:14]#[C:15][NH2:16].[Na]>C1COCC1>[C:1]12([C:11]([NH:16][C:15]#[N:14])=[O:12])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2
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참가 물질

4

반응물 2

HCID 989151-Adamantanecarbonyl chlorideHCID 57375518Cyanamidnatrium

생성물 1

HCID 140546301-Adamantanecarbonyl Cyanamide수율 85.2%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

실험 절차

1-Adamantanecarbonyl chloride (1.99 g, 0.010 mol) in 50 ml of THF was added drop-wise to a suspension of sodium cyanamide (1.92 g, 0.030 mol) in 100 ml of THF with stirring at ice bath temperature. The reaction was allowed to proceed at 25° C. for 15 hours. The reaction mixture was then extracted with ethyl acetate (100 ml). The separated aqueous portion (pH 10.5) was acidified to pH 1.5 with 10% HCl and extracted with ethyl acetate (3×60 ml). The ethyl acetate extract was dried over anhydrous sodium sulfate, filtered, and the filtrate was evaporated in vacuo to dryness. The resulting white solid residue was triturated in a minimal amount of distilled water, filtered, and air-dried to give 1.74 g (85.2% yield) of crude 4 as white solid. This was recrystallized from ethyl acetate and petroleum ether to give 0.55 g (crop 1) of white crystalline powder. The filtrate was concentrated when further crystallization occurred to give 0.49 g (crop 2) of additional product giving a total yield of 50.9%, mp 168°-170° C. TLC: Rf =0.58 in EtOAc/petroleum ether/AcOH (50:100:1), detected by UV quenching (weak) and reddish orange color with ferricyanide spray reagent; IR (Nujol, cm-1), 3210 (NH), 2230 (C≡N), 1710 (C=O); NMR (Silanor C, δ from TMS) 1.62-2.2 (m, aliphatic CH's). Anal. Calcd for C12H16N2O: C, 70.56; H, 7.90; N, 13.71. Found: C, 70.59; H, 8.04; N, 13.66.

후처리

  1. extractionThe reaction mixture was then extracted with ethyl acetate (100 ml)
  2. extractionextracted with ethyl acetate (3×60 ml)
  3. extractionThe ethyl acetate extract
  4. dry with materialwas dried over anhydrous sodium sulfate
  5. filtrationfiltered
  6. customthe filtrate was evaporated in vacuo to dryness
  7. distillationThe resulting white solid residue was triturated in a minimal amount of distilled water
  8. filtrationfiltered
  9. customair-dried

출처 및 근거

ORD 기록
ord-8d2f5af8638c4353be74f64ba58b6a7f
출처 데이터셋
uspto-grants-1988_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04726941

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