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Acetic Acid → HCID 117669084、化合物

HRID 541550
ノート
印刷プレビュー

反応式

HRID 541550 の反応式
[C:1]([O:6][CH2:7]Cl)(=[O:5])[CH2:2][CH2:3][CH3:4].[Na+].[I-].O=C(C1C=CC=CC=1)C[O:14][C:15](=[O:43])[C@H:16]([OH:42])[CH2:17][N:18]([CH2:28][C:29]1[CH:34]=[CH:33][C:32]([C:35]2[CH:40]=[CH:39][CH:38]=[C:37]([Cl:41])[CH:36]=2)=[CH:31][CH:30]=1)[NH:19][C:20]([C:22]1[O:26][N:25]=[C:24]([OH:27])[CH:23]=1)=[O:21].CCN(CC)CC.CC(O)=O>CC(C)=O.[Zn]>[C:15]([C@H:16]([OH:42])[CH2:17][N:18]([CH2:28][C:29]1[CH:30]=[CH:31][C:32]([C:35]2[CH:40]=[CH:39][CH:38]=[C:37]([Cl:41])[CH:36]=2)=[CH:33][CH:34]=1)[NH:19][C:20]([C:22]1[O:26][N:25]=[C:24]([O:27][CH2:7][O:6][C:1](=[O:5])[CH2:2][CH2:3][CH3:4])[CH:23]=1)=[O:21])([OH:43])=[O:14]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 176Acetic AcidHCID 5238Sodium IodideHCID 8471TriethylamineHCID 2725008Chloromethyl butanoateHCID 178521475HCID 178521475、化合物

生成物 1

HCID 117669084HCID 117669084、化合物収率 8.6%

試薬・触媒・溶媒 2

HCID 23994
Zinc
触媒
HCID 180Acetone溶媒2 回

反応条件

温度
60 °C

実験手順

A mixture of chloromethyl butyrate (20.5 μL, 164 μmol) and NaI (24.5 mg, 164 μmol) in acetone (2.0 mL, 27 mmol) was stirred at 60° C. for 1 hour, then cooled to room temperature and added to a mixture of (R)-3-[N-(3′-chlorobiphenyl-4-ylmethyl)-N′-(3-hydroxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic acid 2-oxo-2-phenylethyl ester (30.0 mg, 54.5 μmol) and Et3N (38.0 μL, 273 μmol) in acetone (1 mL). The resulting mixture was stirred at room temperature for 2 hours, concentrated, dissolved in AcOH (2 mL), filtered, and purified by reverse phase preparative HPLC. The desired fractions were combined and lyophilized. Zinc (178 mg, 2.7 mmol) and AcOH (1.0 mL, 18 mmol) was added and the resulting mixture was stirred at room temperature for 2 hours. The mixture was filtered and purified by reverse phase preparative HPLC to yield the title compound (2.5 mg). MS m/z [M+H]+ calc'd for C25H26ClN3O8, 532.14. found 532.2.

後処理

  1. temperaturecooled to room temperature
  2. stirringThe resulting mixture was stirred at room temperature for 2 hours
  3. concentrationconcentrated
  4. dissolutiondissolved in AcOH (2 mL)
  5. filtrationfiltered
  6. custompurified by reverse phase preparative HPLC
  7. stirringthe resulting mixture was stirred at room temperature for 2 hours
  8. filtrationThe mixture was filtered
  9. custompurified by reverse phase preparative HPLC

出典と根拠

ORDレコード
ord-f0794b99defb45808dfe5c8a81f9ec0b
出典データセット
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08871792B2

反応ノート

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