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Hydrochloric Acid → HCID 59443301、化合物

HRID 1091347
ノート
印刷プレビュー

反応式

HRID 1091347 の反応式
CS(O)(=O)=O.[NH2:6][CH2:7][C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[C:13](=[O:17])[N:12]([CH:18]1[CH2:23][CH2:22][C:21](=[O:24])[NH:20][C:19]1=[O:25])[CH2:11]2.[C:26]([N:33]1[CH:37]=[CH:36]N=C1)(N1C=CN=C1)=[O:27].Cl.[Cl:39][C:40]1[CH:41]=C(C=[CH:45][C:46]=1[O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][O:53][CH3:54])N.Cl>CN(C=O)C.O>[Cl:39][C:40]1[CH:41]=[C:37]([NH:33][C:26]([NH:6][CH2:7][C:8]2[CH:9]=[C:10]3[C:14](=[CH:15][CH:16]=2)[C:13](=[O:17])[N:12]([CH:18]2[CH2:23][CH2:22][C:21](=[O:24])[NH:20][C:19]2=[O:25])[CH2:11]3)=[O:27])[CH:36]=[CH:45][C:46]=1[O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][O:53][CH3:54]
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 4

HCID 313Hydrochloric AcidHCID 682631,1'-CarbonyldiimidazoleHCID 46735571Benzenamine, 3-chloro-4-[2-(2-methoxyethoxy)ethoxy]-, hydrochloride (1:1)2 回HCID 866307653-(5-(Aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione methanesulfonate

生成物 1

HCID 59443301HCID 59443301、化合物収率 72%

試薬・触媒・溶媒 2

HCID 962Water溶媒HCID 6228Dimethylformamide溶媒

実験手順

3-(5-aminomethyl-1-oxo-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione methanesulfonate (1.11 g, 3.0 mmol) and 1,1′-Carbonyldiimidazole (535 mg, 3.3 mmol) were suspended in dry DMF (20 mL) and the mixture was stirred at rt for 24 h. While stirring, a portion of the reaction mixture (6.7 mL, ˜1 mmol) was transferred to a vial containing 3-chloro-4-(2-(2-methoxyethoxy)ethoxy)aniline hydrochloride (310 mg, 1.1 mmol). The resulting mixture was stirred at rt overnight and the reaction progress was monitored by LCMS. After 48 h, additional 3-chloro-4-(2-(2-methoxyethoxy)ethoxy)aniline hydrochloride (56 mg, 0.2 mmol) was transferred to the reaction mixture and stirring continued for another 24 h. The reaction mixture was acidified with 1N HCl and water was added with stirring until a precipitate formed. The solid was collected by filtration, suction dried, then dissolved in DMF and purified using C-18 preparatory HPLC to give 1-(3-chloro-4-(2-(2-methoxyethoxy)ethoxy)phenyl)-3-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)urea as a white solid (390 mg, 72% yield): HPLC: Waters Symmetry C18, 5 wn, 3.9×150 mm, 1 ml/min, 240 nm. 30/70 CH3CN/0.1% H3PO4, 5.40 min (99.8%); mp: 188-190° C.; 1H NMR (DMSO-d6) δ 1.92-2.10 (m, 1H, CHH), 2.29-2.47 (m, 1H, CHH), 2.60 (dd, J=2.2, 15.4 Hz, 1H, CHH), 2.82-3.01 (m, 1H, CHH), 3.25 (s, 311, CH3), 3.46 (dd, J=3.7, 5.6 Hz, 2H, CH2), 3.61 (dd. J-3.8, 5.7 Hz, 2H, CH2), 3.73 (d, J=4.7 Hz, 2H, CH2), 4.09 (t, J=4.9 Hz, 2H, CH2), 4.24-4.55 (m, 4H, CH2, CH2), 5.11 (dd, J=5.1, 13.2 Hz, 1H, CH), 6.77 (t, J=5.9 Hz, 1H, NH), 7.04 (d, J=9.1 Hz, 1H, Ar), 7.19 (dd, J=2.5, 9.0 Hz, 1H, Ar), 7.38-7.49 (m, 1H, Ar), 7.51 (s, 1H, Ar), 7.64 (d, J=2.6 Hz, 1H, Ar), 7.69 (d, J=7.7 Hz, 1H, Ar), 8.65 (s, 1H, NH), 10.98 (s, 1H, NH); 11C NMR (DMSO-d6) δ 22.51, 31.20, 42.80, 47.12, 51.56, 58.05, 68.80, 68.85, 69.84, 71.29, 114.66, 117.58, 119.49, 121.24, 121.88, 122.91, 126.89, 130.29, 134.53, 142.38, 144.84, 148.40, 155.25, 167.95, 171.01, 172.86; LCMS: MH=545, 547; Anal Calcd for C26H29ClN4O7+0.4H2O: C, 56.55; H, 5.44; N, 10.15. Found: C, 56.64; H, 5.34; N, 10.15.

後処理

  1. stirringWhile stirring
  2. stirringThe resulting mixture was stirred at rt overnight
  3. waitAfter 48 h
  4. stirringstirring
  5. waitcontinued for another 24 h
  6. additionwas added
  7. stirringwith stirring until a precipitate
  8. customformed
  9. filtrationThe solid was collected by filtration, suction
  10. customdried
  11. dissolutiondissolved in DMF
  12. custompurified

出典と根拠

ORDレコード
ord-b3d88225b46b44f09a8ab53457bf27fe
出典データセット
uspto-grants-2012_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08129375B2

反応ノート

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