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Ethyl bromoacetate → [2-(3-Ethoxy-phenoxymethyl)-3-isobutyl-3H-benzimidazol-5-yloxy]-acetic acid ethyl ester

HRID 537315
ノート
印刷プレビュー

反応式

HRID 537315 の反応式
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:23]=[CH:24][CH:25]=1)[O:7][CH2:8][C:9]1[N:13]([CH2:14][CH:15]([CH3:17])[CH3:16])[C:12]2[CH:18]=[C:19]([OH:22])[CH:20]=[CH:21][C:11]=2[N:10]=1)[CH3:2].C([O-])([O-])=O.[K+].[K+].Br[CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35]>CN(C=O)C>[CH2:37]([O:36][C:34](=[O:35])[CH2:33][O:22][C:19]1[CH:20]=[CH:21][C:11]2[N:10]=[C:9]([CH2:8][O:7][C:6]3[CH:23]=[CH:24][CH:25]=[C:4]([O:3][CH2:1][CH3:2])[CH:5]=3)[N:13]([CH2:14][CH:15]([CH3:17])[CH3:16])[C:12]=2[CH:18]=1)[CH3:38]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 7748Ethyl bromoacetateHCID 11430Potassium CarbonateHCID 866892932-[(3-Ethoxyphenoxy)methyl]-1-isobutylbenzimidazol-6-ol

生成物 1

HCID 71621623[2-(3-Ethoxy-phenoxymethyl)-3-isobutyl-3H-benzimidazol-5-yloxy]-acetic acid ethyl ester収率 100%

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

A 100 mL flask fitted with a stir-bar and septum with an Ar inlet was charged with benzimidazole 66b (3.00 g, 8.81 mmol) and DMF (35 mL). To the resultant solution was added K2CO3 (1.83 g, 13.2 mmol) followed by ethyl bromoacetate (1.62 g, 1.07 mL, 9.69 mmol). The mixture was stirred at rt overnight. The solids were then filtered off and rinsed with EtOAc (2×50 mL). The filtrate was washed with saturated NH4Cl (2×75 mL), H2O (2×75 mL), and brine (75 mL) and filtered through phase separation paper. The organic phase was filtered through a plug of silica gel, rinsed with EtOAc (3×100 mL), and concentrated in vacuo to 4.0 g of a brown oil. 1 g of the crude oil was chromatographed on a Biotage MPLC 25+M silica gel column with the product eluting with 30-36% EtOAc in hexanes. The product fractions were concentrated to give 975 mg of Compound #13 as a yellow oil (100%). 1H NMR (300 MHz, CDCl3): δ 7.69 (d, 1H), 7.20 (t, 1H), 6.93 (dd, 1H), 6.88 (d, 1H), 6.67 (dd, 1H), 6.63 (t, 1H), 6.54 (dd, 1H), 5.32 (s, 2H), 4.70 (s, 2H), 4.29 (qt, 2H), 4.05 (qt, 2H), 4.04 (d, 2H), 2.34 (nonet, 1H), 1.41 (t, 3H), 1.32 (t, 3H), 0.97 (d, 6H) ppm. HPLC analysis (0:10:90 H2O:A1:MeOH) showed a purity of 99% with a retention time of 3.9 min.

後処理

  1. customA 100 mL flask fitted with a stir-bar
  2. filtrationThe solids were then filtered off
  3. washrinsed with EtOAc (2×50 mL)
  4. washThe filtrate was washed with saturated NH4Cl (2×75 mL), H2O (2×75 mL), and brine (75 mL)
  5. filtrationfiltered through phase separation paper
  6. filtrationThe organic phase was filtered through a plug of silica gel
  7. washrinsed with EtOAc (3×100 mL)
  8. concentrationconcentrated in vacuo to 4.0 g of a brown oil
  9. custom1 g of the crude oil was chromatographed on a Biotage MPLC 25+M silica gel column with the product
  10. washeluting with 30-36% EtOAc in hexanes
  11. concentrationThe product fractions were concentrated

出典と根拠

ORDレコード
ord-e54214677bdc41a4a1adbb6ebead8a61
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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