ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Toluene → Benzyl 4-(4-((S)-7-methoxy-8-(3-(((S)-7-methoxy-2-(4-methoxyphenyl)-5,11-dioxo-10-((2-(trimethylsilyl)ethoxy)methyl)-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)propoxy)-5,11-dioxo-10-((2-(trimethylsilyl)ethoxy)methyl)-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl)piperazine-1-carboxylate

HRID 1051838
ノート
印刷プレビュー

反応式

HRID 1051838 の反応式
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH2:10][C@@H:11]3[N:17]([CH:18]=2)[C:16](=[O:19])[C:15]2[CH:20]=[C:21]([O:62][CH3:63])[C:22]([O:24][CH2:25][CH2:26][CH2:27][O:28][C:29]4[C:59]([O:60][CH3:61])=[CH:58][C:32]5[C:33](=[O:57])[N:34]6[CH:49]=[C:48](S(C(F)(F)F)(=O)=O)[CH2:47][C@H:35]6[C:36](=[O:46])[N:37]([CH2:38][O:39][CH2:40][CH2:41][Si:42]([CH3:45])([CH3:44])[CH3:43])[C:31]=5[CH:30]=4)=[CH:23][C:14]=2[N:13]([CH2:64][O:65][CH2:66][CH2:67][Si:68]([CH3:71])([CH3:70])[CH3:69])[C:12]3=[O:72])=[CH:5][CH:4]=1.CC1(C)C(C)(C)OB([C:81]2[CH:86]=[CH:85][C:84]([N:87]3[CH2:92][CH2:91][N:90]([C:93]([O:95][CH2:96][C:97]4[CH:102]=[CH:101][CH:100]=[CH:99][CH:98]=4)=[O:94])[CH2:89][CH2:88]3)=[CH:83][CH:82]=2)O1.C(=O)([O-])[O-].[Na+].[Na+].C1(C)C=CC=CC=1>C(O)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CCOC(C)=O.O>[CH3:61][O:60][C:59]1[C:29]([O:28][CH2:27][CH2:26][CH2:25][O:24][C:22]2[C:21]([O:62][CH3:63])=[CH:20][C:15]3[C:16](=[O:19])[N:17]4[CH:18]=[C:9]([C:6]5[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=5)[CH2:10][C@H:11]4[C:12](=[O:72])[N:13]([CH2:64][O:65][CH2:66][CH2:67][Si:68]([CH3:71])([CH3:70])[CH3:69])[C:14]=3[CH:23]=2)=[CH:30][C:31]2[N:37]([CH2:38][O:39][CH2:40][CH2:41][Si:42]([CH3:43])([CH3:44])[CH3:45])[C:36](=[O:46])[C@@H:35]3[CH2:47][C:48]([C:81]4[CH:82]=[CH:83][C:84]([N:87]5[CH2:88][CH2:89][N:90]([C:93]([O:95][CH2:96][C:97]6[CH:102]=[CH:101][CH:100]=[CH:99][CH:98]=6)=[O:94])[CH2:91][CH2:92]5)=[CH:85][CH:86]=4)=[CH:49][N:34]3[C:33](=[O:57])[C:32]=2[CH:58]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 1140TolueneHCID 10340Sodium CarbonateHCID 46739507Benzyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylateHCID 86676188HCID 86676188、化合物

生成物 1

HCID 71554199
Benzyl 4-(4-((S)-7-methoxy-8-(3-(((S)-7-methoxy-2-(4-methoxyphenyl)-5,11-dioxo-10-((2-(trimethylsilyl)ethoxy)methyl)-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)propoxy)-5,11-dioxo-10-((2-(trimethylsilyl)ethoxy)methyl)-5,10,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl)piperazine-1-carboxylate

試薬・触媒・溶媒 4

HCID 178418397HCID 178418397、化合物触媒HCID 702Ethanol溶媒HCID 962Water溶媒HCID 8857Ethyl Acetate溶媒

実験手順

(S)-2-(4-methoxyphenyl)-7-methoxy-8-(3-((S)-7-methoxy-2-(trifluoromethylsulphonyl)-5,11-dioxo-10-((2-(trimethylsilyl)ethoxy)methyl)-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yloxy)propyloxy)-10-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione (1-Compound 17 in WO 2010/043880)(0.093 g, 0.086 mmol), benzyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate (2)(0.047 g, 0.110 mmol, 1.3 eq) and sodium carbonate (0.009 g, 0.140 mmol, 1.5 eq) were suspended in ethanol (1.5 mL), toluene (3 mL) and water (1.5 mL) under an argon atmosphere. Pd(PPh3)4 (0.002 g, 0.002 mmol, 0.02 eq) was added to the mixture, and the reaction was stirred overnight at room temperature. EtOAc (10 mL) was added to the mixture and the organic phase was washed with brine (15 mL) and dried over MgSO4, and the solvent was removed by rotary evaporation under reduced pressure. The crude was purified by flash column chromatography (silica gel, gradient 20% EtOAc/80% hexane-100% EtOAc). Compound 3 was obtained as a yellow solid (0.0549 g, 52%); Rf 0.21 [50% EtOAc-50% hexane]; LC-MS (5 min) 3.92 min, ES+ 1221.39.

後処理

  1. washthe organic phase was washed with brine (15 mL)
  2. dry with materialdried over MgSO4
  3. customthe solvent was removed by rotary evaporation under reduced pressure
  4. customThe crude was purified by flash column chromatography (silica gel, gradient 20% EtOAc/80% hexane-100% EtOAc)

出典と根拠

ORDレコード
ord-bb814574cd754716b4e54e04aadd7363
出典データセット
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09388187B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート