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Methyl iodide → 2-Imidazolidinethione, 4,4-dimethyl-

HRID 236021
ノート
印刷プレビュー

反応式

HRID 236021 の反応式
NCC(N)(C)C.CI.I.C[S:11][C:12]1[NH:13][CH2:14][C:15]([CH3:18])([CH3:17])[N:16]=1.[Cl:19][C:20]1[CH:27]=[CH:26][C:23]([CH2:24][NH2:25])=[CH:22][CH:21]=1.[Na].[N:29](=[C:31]([C:37]#[N:38])[C:32](OCC)=[O:33])[OH:30]>O.C(O)(=O)C.CCO.C(Cl)Cl.C(=S)=S>[CH3:17][C:15]1([CH3:18])[CH2:14][NH:13][C:12](=[S:11])[NH:16]1.[NH2:38][C:37]1[N:25]([CH2:24][C:23]2[CH:26]=[CH:27][C:20]([Cl:19])=[CH:21][CH:22]=2)[C:12]2[N:13]([CH2:14][C:15]([CH3:18])([CH3:17])[N:16]=2)[C:32](=[O:33])[C:31]=1[N:29]=[O:30]
参加物実験手順後処理出典と根拠反応ノート

参加物

13

反応物 6

HCID 6328Methyl iodide2 回HCID 131282-MethylpropylenediamineHCID 660364-ChlorobenzylamineHCID 5360545SodiumHCID 6399078Ethyl 2-cyano-2-(hydroxyimino)acetateHCID 178503444HCID 178503444、化合物

生成物 2

HCID 3032502
2-Imidazolidinethione, 4,4-dimethyl-
HCID 178428086HCID 178428086、化合物

試薬・触媒・溶媒 5

HCID 176Acetic Acid溶媒HCID 702Ethanol溶媒3 回HCID 962Water溶媒HCID 6344Dichloromethane溶媒2 回HCID 6348Carbon Disulfide溶媒

実験手順

4,4-Dimethylimidazoline-2-thione was prepared by adding a solution of 50 g. of 1,2-diamino-2-methylpropane in 35 ml. of methylene chloride dropwise with stirring to a solution of 43 g. of carbon disulfide in 200 ml. of methylene chloride during about 3 hrs. The product formed as a white precipitate immediately on mixing of the two solutions. The solvent was removed by distillation in vacuo and replaced with water, and the mixture was refluxed for 7 hrs. It was concentrated to one-half the original volume, clarified by filtration while hot, and the product allowed to crystallize from the filtrate, yield 60.6 g., m.p. 114°-115°. A portion of this material, 43.9 g., (0.337 mole), was treated with 47.9 g. (0.337 mole) of methyl iodide in 400 ml. of ethanol. The methyl iodide was added by dropwise addition. The mixture was then concentrated in vacuo to an oil which was mixed with i-Pr2O to induce crystallization resulting in the formation of a light yellow solid, yield 90.7 g. (99%), of 2-methylthio-4,4-dimethyl-2-imidazoline hydroiodide. A portion of this material, 27.2 g. (0.1 mole), and 14.1 g. (0.1 mole) of p-chlorobenzylamine were dissolved in 100 ml. of abs. EtOH and added to a solution of 9.0 g. (0.4 mole) of sodium in 400 ml. of abs. EtOH at the reflux temperature. The solution was stirred for 10 min. and 14.2 g. (0.1 mole) of ethyl oximinocyanoacetate was added in portions during a period of about 5 min. The reaction solution became clear and bright yellow in color. It was refluxed for 41/2 hrs. and then concentrated in vacuo to yield an oily solid. The latter was dissolved in water and treated with acetic acid resulting in formation of the desired product as a red precipitate which was collected and air dried, m.p. 214°-215°, yield 16.7 g. (50%).

後処理

  1. additionby adding a solution of 50 g
  2. customThe product formed as a white precipitate immediately
  3. additionon mixing of the two solutions
  4. customThe solvent was removed by distillation in vacuo
  5. temperaturethe mixture was refluxed for 7 hrs
  6. concentrationIt was concentrated to one-half the original volume
  7. filtrationclarified by filtration while hot, and the product
  8. customto crystallize from the filtrate, yield 60.6 g
  9. addition, (0.337 mole), was treated with 47.9 g
  10. concentrationThe mixture was then concentrated in vacuo to an oil which
  11. additionwas mixed with i-Pr2O
  12. customcrystallization
  13. customresulting in the formation of a light yellow solid, yield 90.7 g
  14. temperatureIt was refluxed for 41/2 hrs
  15. concentrationand then concentrated in vacuo
  16. customto yield an oily solid
  17. customwas collected
  18. customair dried

出典と根拠

ORDレコード
ord-6abf894912444d1498d95be0b6acdcbb
出典データセット
uspto-grants-1987_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04642345

反応ノート

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