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Sodium Chloride → 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [6-(3-diethylamino-propoxy)-pyridin-3-yl]-amide

HRID 23434
ノート
印刷プレビュー

反応式

HRID 23434 の反応式
[O:1]=[C:2]1[CH2:10][CH2:9][CH2:8][C:7]2[NH:6][N:5]=[C:4]([C:11]([OH:13])=O)[C:3]1=2.Cl.CN(C)CCCN=C=NCC.[CH2:26]([N:28]([CH2:40][CH3:41])[CH2:29][CH2:30][CH2:31][O:32][C:33]1[N:38]=[CH:37][C:36]([NH2:39])=[CH:35][CH:34]=1)[CH3:27].[Na+].[Cl-].C(=O)([O-])[O-].[Na+].[Na+]>CN(C1C=CN=CC=1)C.ClCCl.CN(C=O)C>[CH2:40]([N:28]([CH2:26][CH3:27])[CH2:29][CH2:30][CH2:31][O:32][C:33]1[N:38]=[CH:37][C:36]([NH:39][C:11]([C:4]2[C:3]3[C:2](=[O:1])[CH2:10][CH2:9][CH2:8][C:7]=3[NH:6][N:5]=2)=[O:13])=[CH:35][CH:34]=1)[CH3:41]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

9

反応物 5

HCID 5234Sodium ChlorideHCID 10340Sodium CarbonateHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 114239274-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acidHCID 225742766-(3-Diethylamino-propoxy)-pyridin-3-ylamine

生成物 1

HCID 10293467
4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [6-(3-diethylamino-propoxy)-pyridin-3-yl]-amide

試薬・触媒・溶媒 3

HCID 142844-(Dimethylamino)pyridine触媒HCID 6228Dimethylformamide溶媒HCID 6344Dichloromethane溶媒

反応条件

温度
40 °C

実験手順

A solution of 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (2.25 g, 12 mmol), 1-(3-dimethylaminopropyl-3-ethylcarbodiimide hydrochloride (2.87 g, 15 mmol), DMAP (1.83 g, 15 mmol), and DMF (10 mL) in dichloromethane (40 mL) is stirred under nitrogen at 20° C. for 2 hours. 6-(3-Diethylamino-propoxy)-pyridin-3-ylamine (2.50 g, 11.2 mmol) is added. The mixture is stirred under nitrogen at 40° C. for 24 hours; and then poured into 10% NaCl, treated with 1 M sodium carbonate to pH 10, and extracted with chloroform (100 mL). The solution is concentrated, diluted with xylenes (100 mL), and the volatiles are thoroughly evaporated under reduced pressure. The residue is purified by column chromatography on silica gel using a mixture of chloroform-methanol-30% ammonium hydroxide (90:9:1, v/v/v) as an eluent and the residue is recrystallized from ethyl acetate to give pure 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [6-(3-diethylamino-propoxy)-pyridin-3-yl]-amide. 1H NMR (CD3OD) t, J=7.1 Hz, 6H), 1.97 (m, 2H), 2.25 (quintet, J=6.3 Hz, 2H), 2.62 (q, J=7.1 Hz, 4H), 2.71 (m, 4H), 2.99 (t, J=6.3 Hz, 2H), 4.03 (t, J=6.3 Hz, 2H), 6.81 (dd, J=8.9 and 0.5 Hz, 1H), 8.12 (dd, J=8.9 and 2.7 Hz, 1H), 8.56 (dd, J=2.7 and 0.5 Hz, 1H). MW 385.471; MS (M−H)− 384.

後処理

  1. extractionextracted with chloroform (100 mL)
  2. concentrationThe solution is concentrated
  3. additiondiluted with xylenes (100 mL)
  4. customthe volatiles are thoroughly evaporated under reduced pressure
  5. customThe residue is purified by column chromatography on silica gel using
  6. additiona mixture of chloroform-methanol-30% ammonium hydroxide (90:9:1, v/v/v) as an eluent
  7. customthe residue is recrystallized from ethyl acetate

出典と根拠

ORDレコード
ord-3dd516a960d3493aa634626ac6bd813a
出典データセット
uspto-grants-2005_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06852730B2

反応ノート

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