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亚硝酸钠 → N-(3-Amino-2-tert-butyl-1H-indol-5-yl)-1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide

HRID 1908540
笔记
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反应方程式

HRID 1908540 反应方程式
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3([C:13]([NH:15][C:16]4[CH:17]=[C:18]5[C:22](=[CH:23][CH:24]=4)[NH:21][C:20]([C:25]([CH3:28])([CH3:27])[CH3:26])=[CH:19]5)=[O:14])[CH2:12][CH2:11]3)=[CH:9][C:4]=2[O:3][CH2:2]1.[N:29]([O-])=O.[Na+]>CC(O)=O.O>[NH2:29][C:19]1[C:18]2[C:22](=[CH:23][CH:24]=[C:16]([NH:15][C:13]([C:10]3([C:8]4[CH:7]=[CH:6][C:5]5[O:1][CH2:2][O:3][C:4]=5[CH:9]=4)[CH2:12][CH2:11]3)=[O:14])[CH:17]=2)[NH:21][C:20]=1[C:25]([CH3:28])([CH3:27])[CH3:26]
参与物反应条件实验过程后处理来源与证据反应笔记

参与物

5

反应物 2

HCID 23668193亚硝酸钠HCID 247629031-(Benzo[d][1,3]dioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropanecarboxamide

产物 1

HCID 59129316N-(3-Amino-2-tert-butyl-1H-indol-5-yl)-1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide

试剂、催化剂与溶剂 2

HCID 176醋酸溶剂HCID 962聚[6-[4-(4-氰基苯基)苯氧基]己基甲基丙烯酸酯]溶剂

反应条件

温度
45 °C

实验过程

A solution of 1-(benzo[d][1,3]dioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane carboxamide (50 mg, 0.13 mmol) was dissolved in AcOH (2 mL) and warmed to 45° C. To the mixture was added a solution of NaNO2 (9 mg) in H2O (0.03 mL). The mixture was allowed to stir for 30 min at 45° C. before the precipitate was collected and washed with Et2O. This material was used in the next step without further purification. To the crude material, 1-(benzo[d][1,3]dioxol-5-yl)-N-(2-tert-butyl-3-nitroso-1H-indol-5-yl)cyclopropanecarboxamide, was added AcOH (2 mL) and Zn dust (5 mg). The mixture was allowed to stir for 1 h at ambient temperature. EtOAc and H2O were added to the mixture. The layers were separated and the organic layer washed with sat. aq. NaHCO3, dried over MgSO4, and concentrated in vacuo. The residue was taken up in DMF (1 mL) and was purified using prep-HPLC. LCMS: m/z 392.3; retention time of 2.18 min.

后处理

  1. customwas collected
  2. washwashed with Et2O
  3. customThis material was used in the next step without further purification
  4. additionTo the crude material, 1-(benzo[d][1,3]dioxol-5-yl)-N-(2-tert-butyl-3-nitroso-1H-indol-5-yl)cyclopropanecarboxamide, was added AcOH (2 mL) and Zn dust (5 mg)
  5. stirringto stir for 1 h at ambient temperature
  6. additionEtOAc and H2O were added to the mixture
  7. customThe layers were separated
  8. washthe organic layer washed with sat. aq. NaHCO3
  9. dry with materialdried over MgSO4
  10. concentrationconcentrated in vacuo
  11. customwas purified

来源与证据

ORD记录
ord-ab6802a2b00d473e841d34e45019111a
来源数据集
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
专利号
US08598181B2

反应笔记

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本页导航参与物反应条件实验过程后处理来源与证据反应笔记