ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Nitrogen → HCID 53914517、化合物

HRID 1165641
ノート
印刷プレビュー

反応式

HRID 1165641 の反応式
N#N.[CH:3]1[C:15]2[C:14]3[S:13][C:12]4[CH:16]=[CH:17][CH:18]=[CH:19][C:11]=4[C:10]=3[CH:9]=[C:8]([CH:20]=O)[C:7]=2[CH:6]=[CH:5][CH:4]=1.[NH2:22][C:23]([CH3:28])([CH2:26][OH:27])[CH2:24][OH:25].O.C1(C)C=C[C:33]([S:36](O)(=[O:38])=[O:37])=CC=1.[BH4-].[Na+].CS(O)(=O)=O>CCO.O.C1(C)C=CC=CC=1>[CH3:33][S:36]([O:25][CH2:24][C:23]([NH:22][CH2:20][C:8]1[C:7]2[CH:6]=[CH:5][CH:4]=[CH:3][C:15]=2[C:14]2[S:13][C:12]3[CH:16]=[CH:17][CH:18]=[CH:19][C:11]=3[C:10]=2[CH:9]=1)([CH3:28])[CH2:26][OH:27])(=[O:38])=[O:37]
参加物実験手順後処理出典と根拠反応ノート

参加物

10

反応物 6

HCID 947NitrogenHCID 15312-Amino-2-methyl-1,3-propanediolHCID 6395Methanesulfonic AcidHCID 521998p-Toluenesulfonic acid monohydrateHCID 4311764Sodium borohydrideHCID 13277945Benzo[b]naphtho[2,1-d]thiophene-5-carboxaldehyde

生成物 1

HCID 53914517
HCID 53914517、化合物

試薬・触媒・溶媒 3

HCID 702Ethanol溶媒HCID 962Water溶媒2 回HCID 1140Toluene溶媒

実験手順

To a 3-necked RB flask equipped with magnetic stirring bar, condenser, thermometer, Dean-Stark trap and N2 inlet line with bubbler was added benzo[b]naphtho[2,1-d]thiophene-5-carbaldehyde (H. G. Pars Pharmaceutical Laboratories, Inc., 763 Concord Avenue, Cambridge, Mass., 02138, 4.94 g, 18.83 mmol), 2-amino-2-methyl-1,3-propanediol (Aldrich Chemical Co, P. O. Box 2060, Milwaukee, Wis., 53201, 1.98 g, 18.83 mmol), p-toluenesulfonic acid monohydrate (Aldrich, 0.1 g) and PhCH3 (200 mL). The mixture was stirred at reflux with removal of H2O for 2.5 h (or until no H2O was collected). Most of the PhCH3 was then removed by distillation. The mixture was then cooled in an ice bath and diluted with abs. EtOH (200 mL) and further cooled. Solid NaBH4 (MCB Manufacturing Chemists, Inc., 2909 Highland Ave., Cincinnati, Ohio, 45212, 0.712 g, 18.83 mmol) was added in one portion to the reaction mixture. The ice bath was then removed, the reaction mixture allowed to warm to RT and stirred overnight. The reaction was then acidified with 10% HCl and the solvents removed by rotary evaporation. The crude solid was shaken with 1 N HCl (300 mL) filtered, washed with 1 N HCl (300 mL), sucked semidry, and washed with Et2O (300 mL). The material was dissolved in CH3OH (200 mL), filtered and basified with 1N NaOH solution (1 L). A white solid formed which was extracted with EtOAc (3×500 mL). The EtOAc washings were combined, filtered, washed with saturated NaCl (3×500 mL), dried (K2CO3), filtered and concentrated by rotary evaporation to give a white solid. This was dissolved in a mixture of abs. EtOH (200 mL) and CH3SO3H (99.5%, Morton Thiokol, Inc. - Alfa Products, P. O. Box 299, 152 Andover Street, Danvers, Mass., 01923, 3 mL), filtered and diluted to 4 L with a mixture of Et2 /hexane (1:1). This material was then recrystallized (EtOH/hexane, 1:3) to give 2-[[(benzo[b]naphtho[2,1-d]thiophen-5-yl)methyl]amino]-2-methyl-1,3-propanediol methanesulfonate, mp 221°-222° (C,H,N,S).

後処理

  1. customTo a 3-necked RB flask equipped with magnetic stirring bar, condenser
  2. customwas collected)
  3. customMost of the PhCH3 was then removed by distillation
  4. temperatureThe mixture was then cooled in an ice bath
  5. additiondiluted with abs
  6. customThe ice bath was then removed
  7. stirringstirred overnight
  8. customthe solvents removed by rotary evaporation
  9. stirringThe crude solid was shaken with 1 N HCl (300 mL)
  10. filtrationfiltered
  11. washwashed with 1 N HCl (300 mL)
  12. washwashed with Et2O (300 mL)
  13. dissolutionThe material was dissolved in CH3OH (200 mL)
  14. filtrationfiltered
  15. customA white solid formed which
  16. extractionwas extracted with EtOAc (3×500 mL)
  17. filtrationfiltered
  18. washwashed with saturated NaCl (3×500 mL)
  19. dry with materialdried (K2CO3)
  20. filtrationfiltered
  21. concentrationconcentrated by rotary evaporation
  22. customto give a white solid
  23. dissolutionThis was dissolved in a mixture of abs
  24. filtration, 01923, 3 mL), filtered
  25. additiondiluted to 4 L with a mixture of Et2 /hexane (1:1)
  26. customThis material was then recrystallized (EtOH/hexane, 1:3)

出典と根拠

ORDレコード
ord-4a919828cf8c402aa2647a461da54523
出典データセット
uspto-grants-1990_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04910218

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート