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Acetic Acid → 6-Chloro-2-methyl-4-(5-(1-methylpiperidin-4-yl)pyridin-2-ylamino)pyridazin-3(2H)-one

HRID 449707
ノート
印刷プレビュー

反応式

HRID 449707 の反応式
[Cl:1][C:2]1[CH:3]=[C:4]([NH:10][C:11]2[CH:16]=[CH:15][C:14]([CH:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[CH:13][N:12]=2)[C:5](=[O:9])[N:6]([CH3:8])[N:7]=1.C=O.[C:25](O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])(O)=O.[Na+]>O.C1COCC1>[Cl:1][C:2]1[CH:3]=[C:4]([NH:10][C:11]2[N:12]=[CH:13][C:14]([CH:17]3[CH2:22][CH2:21][N:20]([CH3:25])[CH2:19][CH2:18]3)=[CH:15][CH:16]=2)[C:5](=[O:9])[N:6]([CH3:8])[N:7]=1
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

8

反応物 5

HCID 176Acetic AcidHCID 712FormaldehydeHCID 516892Sodium BicarbonateHCID 5049666Sodium triacetoxyborohydrideHCID 667421406-chloro-2-methyl-4-(5-(piperidin-4-yl)pyridin-2-ylamino)pyridazin-3(2H)-one

生成物 1

HCID 667423806-Chloro-2-methyl-4-(5-(1-methylpiperidin-4-yl)pyridin-2-ylamino)pyridazin-3(2H)-one
収率 89.6%

試薬・触媒・溶媒 2

HCID 962Water溶媒HCID 8028Tetrahydrofuran溶媒

反応条件

温度
0 °C

実験手順

In a 25 mL round-bottomed flask, 6-chloro-2-methyl-4-(5-(piperidin-4-yl)pyridin-2-ylamino)pyridazin-3(2H)-one (620 mg, 1.94 mmol, Eq: 1.00) and formaldehyde (1.57 g, 1.44 ml, 19.4 mmol, Eq: 10) were combined with THF to give a light yellow solution. Acetic acid (116 mg, 111 μl, 1.94 mmol, Eq: 1.00) was added. The reaction mixture was cooled to 0° C. Sodium triacetoxyborohydride (616 mg, 2.91 mmol, Eq: 1.5) was added. The reaction mixture was stirred at room temperature 2 hr. LC/MS showed reaction was complete. The reaction mixture was poured into water. Saturated NaHCO3 was added to make it basic and the resultant mixture was extracted with EtOAc. The combined extracts were washed with water, dried over Na2SO4 and concentrated in vacuo. The resultant solid was triturated with ether to afford the desired product as an off-white solid (580 mg). (M+H)+=334 m/e. This was combined with previous batches to give 1.06 g 6-chloro-2-methyl-4-(1′-methyl-1′,2′,3′,4′,5′,6′-hexahydro-[3,4]bipyridinyl-6-ylamino)-2H-pyridazin-3-one, which was carried on as is into the next reaction.

後処理

  1. customto give a light yellow solution
  2. customreaction
  3. extractionthe resultant mixture was extracted with EtOAc
  4. washThe combined extracts were washed with water
  5. dry with materialdried over Na2SO4
  6. concentrationconcentrated in vacuo
  7. customThe resultant solid was triturated with ether

出典と根拠

ORDレコード
ord-003fffb4533f43f681d3cbe7ad38f775
出典データセット
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08481540B2

反応ノート

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