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

Hydrochloric Acid → benzyl N-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamate

HRID 2364708
ノート
印刷プレビュー

反応式

HRID 2364708 の反応式
[CH2:1]([O:8][C:9]([NH:11][CH2:12][C@@H:13]([OH:28])[CH2:14][N:15]1[CH2:20][CH2:19][N:18]([C:21](OC(C)(C)C)=O)[CH2:17][CH2:16]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.C=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])[O-].[Na+].[Na+]>ClCCl.O1CCOCC1.C(O)(=O)C.C(#N)C.O>[OH:28][C@@H:13]([CH2:14][N:15]1[CH2:20][CH2:19][N:18]([CH3:21])[CH2:17][CH2:16]1)[CH2:12][NH:11][C:9](=[O:10])[O:8][CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

11

反応物 5

HCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 10340Sodium CarbonateHCID 5049666Sodium triacetoxyborohydrideHCID 68107180tert-butyl 4-[(2R)-3-benzyloxycarbonylamino-2-hydroxy-propyl]piperazine-1-carboxylate

生成物 1

HCID 68108054benzyl N-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamate
収率 56.3%

試薬・触媒・溶媒 5

HCID 176Acetic Acid溶媒HCID 962Water溶媒HCID 6342Acetonitrile溶媒HCID 6344Dichloromethane溶媒HCID 312751,4-Dioxane溶媒

実験手順

Tert-butyl 4-[(2R)-3-benzyloxycarbonylamino-2-hydroxy-propyl]piperazine-1-carboxylate 20c (1.80 g, 4.80 mmol) was dissolved in 30 mL of dichloromethane followed by the addition of 20 mL of a solution of hydrogen chloride in dioxane. The reaction solution was stirred for 0.5 hours. The reaction solution was concentrated under reduced pressure, added with 30 mL of water and 30 mL of acetonitrile, formaldehyde (288 mg, 9.6 mmol) and dropwise with 0.1 mL of acetic acid. The resulting solution was stirred for 0.5 hours followed by the addition of sodium triacetoxyborohydride (3.05 g, 14.40 mmol). The reaction solution was stirred for 12 hours, added dropwise with saturated sodium carbonate solution to adjust pH to 10 and extracted with ethyl acetate (50 mL×3). The combined organic phase was washed with saturated sodium chloride solution (50 mL×3), then dried over anhydrous magnesium sulfate, filtered and the filtrate was concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography to obtain the title compound benzyl N-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamate 20d (830 mg, yield: 56.0%) as a yellow oil.

後処理

  1. concentrationThe reaction solution was concentrated under reduced pressure
  2. stirringThe resulting solution was stirred for 0.5 hours
  3. stirringThe reaction solution was stirred for 12 hours
  4. extractionextracted with ethyl acetate (50 mL×3)
  5. washThe combined organic phase was washed with saturated sodium chloride solution (50 mL×3)
  6. dry with materialdried over anhydrous magnesium sulfate
  7. filtrationfiltered
  8. concentrationthe filtrate was concentrated under reduced pressure
  9. customThe resulting residue was purified by silica gel column chromatography

出典と根拠

ORDレコード
ord-d68d9c76b358468e9bb5d7811d7c7d4d
出典データセット
uspto-grants-2014_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08691822B2

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