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1,2-Dichloroethane → HCID 9912651、化合物

HRID 227245
ノート
印刷プレビュー

反応式

HRID 227245 の反応式
C(OC([NH:8][C@H:9]([CH2:14][C:15]1[CH:20]=[C:19]([F:21])[C:18]([F:22])=[CH:17][C:16]=1[F:23])[CH2:10][C:11]([OH:13])=O)=O)(C)(C)C.C(Cl)C[Cl:26].C1C=CC2N(O)N=NC=2C=1.Cl.[CH3:39][CH:40]1[NH:46][CH2:45][CH2:44][CH2:43][N:42]2[C:47]([C:50]([F:53])([F:52])[F:51])=[N:48][N:49]=[C:41]12>CN(C=O)C.C(=O)(O)[O-].[Na+].C(N(CC)CC)C>[ClH:26].[NH2:8][C@H:9]([CH2:14][C:15]1[CH:20]=[C:19]([F:21])[C:18]([F:22])=[CH:17][C:16]=1[F:23])[CH2:10][C:11]([N:46]1[CH2:45][CH2:44][CH2:43][N:42]2[C:47]([C:50]([F:53])([F:51])[F:52])=[N:48][N:49]=[C:41]2[CH:40]1[CH3:39])=[O:13]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 111,2-DichloroethaneHCID 757711-HydroxybenzotriazoleHCID 7146288(R)-3-(tert-butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acidHCID 68810792HCID 68810792、化合物

生成物 1

HCID 9912651HCID 9912651、化合物

試薬・触媒・溶媒 3

HCID 6228Dimethylformamide
溶媒
2 回
HCID 8471Triethylamine溶媒
HCID 516892Sodium Bicarbonate溶媒

実験手順

To a stirred solution of (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid (119 mg, 0.358 mmol), EDC (82 mg, 0.430 mmol) and HOBT (58 mg, 0.430 mmol) in DMF (3 mL) at room temperature under nitrogen was added a mixture of 9-methyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepine hydrochloride from Step G (90 mg, 0.351 mmol) and triethylamine in DMF (3 mL). The resultant mixture was stirred at ambient temperature for 4 days. Then the reaction mixture was diluted with saturated aqueous sodium bicarbonate solution and extracted with ethyl acetate. The organic layer was washed with brine, dried over sodium sulfate, and concentrated. The residue was purified by preparative thin layer chromatography (5% of 10% methanolic ammonium hydroxide in dichloromethane) to yield the N-BOC precursors of the title compound as a mixture of diastereomers. Chiral HPLC separation (ChiralCel OD column, 6% ethanol/hexane) provided the individual diastereomers, each of which was treated with 4 N hydrogen chloride in dioxane at ambient temperature for 2 h. Concentration gave the individual diastereomers of the title compound. Faster eluting diastereomer: MS 436.0 (M+1); slower eluting diastereomer: MS 436.0 (M+1).

後処理

  1. extractionextracted with ethyl acetate
  2. washThe organic layer was washed with brine
  3. dry with materialdried over sodium sulfate
  4. concentrationconcentrated
  5. customThe residue was purified by preparative thin layer chromatography (5% of 10% methanolic ammonium hydroxide in dichloromethane)

出典と根拠

ORDレコード
ord-5c650bf821f54082a0135208a9ddc724
出典データセット
uspto-grants-2009_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07560455B2

反応ノート

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