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Sodium hydride → HCID 67528873、化合物

HRID 1512166
ノート
印刷プレビュー

反応式

HRID 1512166 の反応式
[O:1]1[CH2:6][CH2:5][CH:4](/[CH:7]=[CH:8]/[C:9]([OH:11])=O)[CH2:3][CH2:2]1.C(Cl)(=O)C(Cl)=O.[H-].[Na+].[N+:20]([C:23]1[CH:24]=[C:25]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=2[C:36]([F:39])([F:38])[F:37])[CH:26]=[CH:27][C:28]=1[NH2:29])([O-:22])=[O:21]>C(Cl)Cl.CN(C=O)C.C1COCC1>[N+:20]([C:23]1[CH:24]=[C:25]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=2[C:36]([F:37])([F:38])[F:39])[CH:26]=[CH:27][C:28]=1[NH:29][C:9](=[O:11])/[CH:8]=[CH:7]/[CH:4]1[CH2:3][CH2:2][O:1][CH2:6][CH2:5]1)([O-:22])=[O:21]
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 24758Sodium hydride2 回HCID 65578Oxalyl chlorideHCID 17786652HCID 17786652、化合物HCID 509940363-Nitro-2'-trifluoromethyl-biphenyl-4-ylamine

生成物 1

HCID 67528873HCID 67528873、化合物

試薬・触媒・溶媒 3

HCID 6228Dimethylformamide触媒
HCID 6344
Dichloromethane
溶媒
HCID 8028Tetrahydrofuran溶媒2 回

実験手順

A solution of (E)-3-(tetrahydro-pyran-4-yl)-acrylic acid (prepared as described in PCT Publication WO 2005/101989 (A2,A3), 0.200 g, 1.28 mmol) in dry CH2Cl2 (5 mL) was treated with oxalyl chloride (0.110 mL, 0.00128 mol) and DMF (1 drop) at room temperature for 1 h. The volatiles were evaporated in vacuo (water bath temperature <30° C.). At the same time, a suspension of NaH (78.8 mg, 1.97 mmol, 60% dispersion in oil) in dry THF (3 mL) was treated portionwise with 3-nitro-2′-trifluoromethyl-biphenyl-4-ylamine (278 mg, 0.985 mmol, prepared as in STEP A above) and stirred at room temperature for 30 min. The residue was taken up in dry THF (2 mL) and slowly added to the NaH mixture. The resulting mixture was stirred at room temperature overnight, quenched with saturated aqueous NH4Cl (20 mL) and extracted with EtOAc (2×20 mL). The combined organic layers were dried over MgSO4 and concentrated in vacuo. The residue was purified on a 24-g Sepra Si 50 SPE column (Isco system: flow rate=20 mL/min; eluting with EtOAc/hexane, 5:95, v/v over 5 min and 5:95 to 40:60, v/v over 25 min) to yield (E)-N-(3-nitro-2′-trifluoromethyl-biphenyl-4-yl)-3-(tetrahydro-pyran-4-yl)-acrylamide as a yellow solid.

後処理

  1. customThe volatiles were evaporated in vacuo (water bath temperature <30° C.)
  2. stirringThe resulting mixture was stirred at room temperature overnight
  3. customquenched with saturated aqueous NH4Cl (20 mL)
  4. extractionextracted with EtOAc (2×20 mL)
  5. dry with materialThe combined organic layers were dried over MgSO4
  6. concentrationconcentrated in vacuo
  7. customThe residue was purified on a 24-g Sepra Si 50 SPE column (Isco system
  8. washeluting with EtOAc/hexane, 5:95, v/v over 5 min

出典と根拠

ORDレコード
ord-8642e7041ef04006a2ae8dd9b9ae69d7
出典データセット
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08217060B2

反応ノート

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