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1,2-Dichloroethane → HCID 69939812、化合物

HRID 1058304
ノート
印刷プレビュー

反応式

HRID 1058304 の反応式
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][C:11]=1[CH2:12][NH:13][C:14](=[O:20])[C@@H:15]1[CH2:19][CH2:18][CH2:17][NH:16]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:26]([O:30][C:31]([C:33]1[CH:34]=[C:35]([C@H:39]([C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][N:46]=2)[C@@H:40]([OH:44])[C:41](O)=[O:42])[CH:36]=[CH:37][CH:38]=1)=[O:32])([CH3:29])([CH3:28])[CH3:27].C1C=C2N=NN(O)C2=CC=1.O.C(Cl)CCl.C(N(C(C)C)CC)(C)C>CN(C=O)C>[C:26]([O:30][C:31]([C:33]1[CH:34]=[C:35]([C@H:39]([C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][N:46]=2)[C@@H:40]([OH:44])[C:41]([N:16]2[CH2:17][CH2:18][CH2:19][C@H:15]2[C:14]([NH:13][CH2:12][C:11]2[CH:21]=[C:22]([Cl:25])[CH:23]=[CH:24][C:10]=2[CH2:9][NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:7])=[O:20])=[O:42])[CH:36]=[CH:37][CH:38]=1)=[O:32])([CH3:29])([CH3:27])[CH3:28]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 5

HCID 111,2-DichloroethaneHCID 81531DiisopropylethylamineHCID 27960291-Hydroxybenzotriazole hydrateHCID 11428605L-prolin-N-(2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzyl)amideHCID 69937561HCID 69937561、化合物

生成物 1

HCID 69939812HCID 69939812、化合物

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

To a stirred solution of L-prolin-N-(2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzyl)amide (0.026 g, 0.07 mmol), (2R,3R)-3-[3-(tert-butoxycarbonyl)phenyl]-2-hydroxy-3-pyridin-2-ylpropanoic acid from step 6 (20 mg, 0.058 mmol), and HOBT hydrate (12 mg, 0.087 mmol) in DMF (1 mL) was added EDC (0.017 g, 0.087 mmol). Diisopropylethylamine (0.0122 mL, 0.07 mmol) was added and the mixture was stirred at ambient temperature for 3 days, at which time HPLC analysis indicated complete consumption of the proline starting material. The DMF was removed under reduced pressure and the residue was partitioned between EtOAc (50 mL) and 10% aqueous Na2CO3 (20 mL). The EtOAc layer was separated, dried over anhydrous MgSO4, and filtered. The filtrate solvent was removed under reduced pressure and the residue was purified by preparative HPLC on a Waters PrepPak using 10% to 100% CH3CN:H2O with 0.1% TFA as eluant over 60 min. The product-containing fractions were combined and the acetonitrile was removed under reduced pressure. The remaining aqueous solution was basicified with saturated aqueous NaHCO3, extracted with 4×20 mL CH2Cl2, dried over Na2SO4 and filtered. The filtrate solvent was removed under reduced pressure to give 1-((2R,3R)-3-(3-tert-butyloxycarbonylphenyl)-3-(2-pyridyl)-2-hydroxypropanoyl)-N-(2-tert-butyloxycarbonylaminomethyl-5-chlorobenzyl)-L-prolinamide an oil (0.018 g, 45%). HPLC RT=2.54 min, method B; LC-MS M+H=693, 695.

後処理

  1. customconsumption of the proline starting material
  2. customThe DMF was removed under reduced pressure
  3. customthe residue was partitioned between EtOAc (50 mL) and 10% aqueous Na2CO3 (20 mL)
  4. customThe EtOAc layer was separated
  5. dry with materialdried over anhydrous MgSO4
  6. filtrationfiltered
  7. customThe filtrate solvent was removed under reduced pressure
  8. customthe residue was purified by preparative HPLC on a Waters PrepPak
  9. waitH2O with 0.1% TFA as eluant over 60 min
  10. customthe acetonitrile was removed under reduced pressure
  11. extractionextracted with 4×20 mL CH2Cl2
  12. dry with materialdried over Na2SO4
  13. filtrationfiltered
  14. customThe filtrate solvent was removed under reduced pressure

出典と根拠

ORDレコード
ord-5cb0489b51e443abb8b42e37d3bbe25e
出典データセット
uspto-grants-2003_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06515011B2

反応ノート

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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