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Aniline → N-[2-(Isobutylamino)-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide

HRID 537295
ノート
印刷プレビュー

反応式

HRID 537295 の反応式
[NH2:1][C:2]1[CH:7]=[C:6]([O:8][CH2:9][CH2:10][CH:11]([CH3:13])[CH3:12])[CH:5]=[CH:4][C:3]=1[NH:14][C:15](=[O:26])[CH2:16][O:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([O:24][CH3:25])[CH:19]=1.[CH:27](=O)[CH:28]([CH3:30])[CH3:29].[BH3-]C#N.[Na+].NC1C=CC=CC=1>CCOC(C)=O.[Cl-].[Cl-].[Zn+2].[BH3-]C#N.[Na+].[Cl-].[Cl-].[Zn+2].CO.C1COCC1>[CH2:27]([NH:1][C:2]1[CH:7]=[C:6]([O:8][CH2:9][CH2:10][CH:11]([CH3:13])[CH3:12])[CH:5]=[CH:4][C:3]=1[NH:14][C:15](=[O:26])[CH2:16][O:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([O:24][CH3:25])[CH:19]=1)[CH:28]([CH3:30])[CH3:29]
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 4

HCID 6115AnilineHCID 6561Isobutyraldehyde3 回HCID 5003444Sodium cyanoborohydrideHCID 86689284N-[2-Amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide

生成物 1

HCID 86689285N-[2-(Isobutylamino)-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide収率 84.1%

試薬・触媒・溶媒 5

HCID 3007855
Zincchloride
触媒
HCID 131717307ZINC chloride sodium cyanoborohydride触媒
HCID 887Methanol溶媒2 回
HCID 8028Tetrahydrofuran溶媒
HCID 8857Ethyl Acetate溶媒

実験手順

A 1 L 3-neck flask fitted with a stir-bar, addition funnel, and an Ar inlet was charged with aniline 49b (11.0 g, 30.7 mmol), THF (110 mL), and MeOH (30 mL). To the resultant solution was added isobutyraldehyde (3.10 g, 3.92 mL, 43.0 mmol), and the mixture stirred 15 min at rt. Meanwhile, in a 250 mL flask fitted with a stir-bar and septum with an Ar inlet, NaCNBH3 (1M in THF, 43 mL, 43.0 mmol) was added to MeOH (100 mL) followed by ZnCl2 (1M in Et2O, 21.5 mL, 21.5 mmol) forming a cloudy mixture. After stirring 20 min, this mixture was added to the above aniline solution. The mixture was stirred overnight at rt. Another 4.0 mL isobutyraldehyde was added, followed by a second addition of the same volume of the NaCNBH3/ZnCl2 mixture as made previously. The mixture stirred at rt overnight. Another 2 mL of isobutyraldehyde was then added, and the mixture stirred overnight again. The cloudy solution was diluted with EtOAc (500 mL) and washed with saturated NaHCO3 (2×400 mL) and brine (250 mL). The solution was filtered through phase separation paper and concentrated in vacuo to a waxy, orange solid. The solid was collected with hexanes (20 mL) and rinsed with hexanes (2×10 mL). The material dried to give 10.7 g of 50b as a pale orange solid. A second crop of 1.20 g was collected (94%). 1H NMR (300 MHz, CDCl3): δ 7.85 (s, 1H), 7.31-7.23 (m, 1H), 7.16 (d, 1H), 6.65-6.56 (m, 3H), 6.33-6.24 (m, 2H), 4.70 (s, 2H), 3.96 (t, 2H), 3.82 (s, 3H), 3.75 (bt, 1H), 2.84 (t, 2H), 1.83 (nonet, 2H), 1.67 (qt, 2H), 0.97 (d, 6H), 0.95 (d, 6H) ppm. HPLC analysis (5:10:85 H2O:A1:MeOH) showed a purity of 98% with a retention time of 6.9 min.

後処理

  1. customA 1 L 3-neck flask fitted with a stir-bar, addition funnel
  2. customMeanwhile, in a 250 mL flask fitted with a stir-bar
  3. customforming a cloudy mixture
  4. stirringAfter stirring 20 min
  5. stirringThe mixture was stirred overnight at rt
  6. stirringThe mixture stirred at rt overnight
  7. stirringthe mixture stirred overnight again
  8. washwashed with saturated NaHCO3 (2×400 mL) and brine (250 mL)
  9. filtrationThe solution was filtered through phase separation paper
  10. concentrationconcentrated in vacuo to a waxy, orange solid
  11. customThe solid was collected with hexanes (20 mL)
  12. washrinsed with hexanes (2×10 mL)
  13. customThe material dried

出典と根拠

ORDレコード
ord-ff03c853ed174a2dbd475662ff34493e
出典データセット
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08859780B2

反応ノート

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