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

Hydrochloric Acid → 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

HRID 1453378
ノート
印刷プレビュー

反応式

HRID 1453378 の反応式
[CH:1]1[C:11]2[C:10]3=[CH:12][C:13]4[CH:14]=[CH:15][C:16]([C:19]([O:21]C)=[O:20])=[CH:17][C:18]=4[N:9]3[CH2:8][CH:7]=[CH:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.CNCC(N1CCOCC1)=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[OH-].[Na+].Cl>CN(C=O)C.O.C1COCC1.CO.C(N(CC)CC)C>[CH:1]1[C:11]2[C:10]3=[CH:12][C:13]4[CH:14]=[CH:15][C:16]([C:19]([OH:21])=[O:20])=[CH:17][C:18]=4[N:9]3[CH2:8][CH:7]=[CH:6][C:5]=2[CH:4]=[CH:3][CH:2]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

10

反応物 5

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 25176834-((Methylamino)acetyl)morpholineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 68832135methyl 7H-indolo[2,1-a][2]benzazepine-10-carboxylate

生成物 1

HCID 66639679
7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

試薬・触媒・溶媒 4

HCID 962Water溶媒HCID 6228Dimethylformamide溶媒HCID 8471Triethylamine溶媒HCID 21899815MeOH tetrahydrofuran溶媒

実験手順

To a stirred solution of methyl 7H-indolo[2,1-a][2]benzazepine-10-carboxylate, 13-cyclohexyl, 6-carboxylic acid, 3-methoxy (200 mg, 0.45 mmol), 2-(methylamino)-1-morpholinoethanone (86 mg, 0.54 mmol) and triethylamine (0.19 mL) in DMF (3 mL) was added HATU (205 mg, 0.54 mmol). The reaction mixture was stirred at rt for 2 h, diluted with H2O (˜12 mL) and the resulting solids were collected by filtration, washed with H2O and dried on the filter with aspirator vacuum for 1 h. The solids were dissolved into THF/MeOH (1:1, 4 mL) and 1M NaOH (aq.) (1.0 mL, 1.0 mmol). The reaction mixture was heated in a sealed tube with microwave irradiation at 85° C. for 20 min. The reaction was cooled, neutralized with 1M HCl (aq.) (1.0 mL, 1.0 mmol) and concentrated. The residue was slurried with H2O and the solids were collected by filtration, flushed with H2O, dried and purified by preparative HPLC (MeOH/H2O with an NH4OAc buffer) to yield 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[[methyl[2-(4-morpholinyl)-2-oxoethyl]amino]carbonyl]- (163 mg, 0.29 mmol, 63%) as a yellow solid and 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 6-[[(carboxymethyl)methylamino]carbonyl]-13-cyclohexyl-3-methoxy- (13 mg, 0.03 mmol, 6%) as a yellow solid. Data for 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[[methyl[2-(4-morpholinyl)-2-oxoethyl]amino]carbonyl]-: 1HNMR (300 MHz, CDCl3) δ 8.26 (br s. 1H), 7.85 (d, J=8.4 Hz, 1H), 7.74 (dd, J=1.1, 8.4 Hz, 1H), 7.48 (d, J=8.8 Hz, 1H), 7.03 (dd, J=2.7, 8.8 Hz, 1H), 7.00-6.92 (m, 1H), 6.89 (br s, 1H), 5.23-5.06 (m, 1H), 4.47-4.31 (m, 1H), 3.87 (s, 3H), 3.78-3.37 (m, 6H), 3.05-2.73 (m, 5H), 2.13-1.69 (m, 6H), 2.08 (s, 3H), 1.46-1.13 (m, 4H). LCMS: m/e 570 (M−H)−, ret time 1.38 min, column A, 2 minute gradient. Data for 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 6-[[(carboxymethyl)methylamino]carbonyl]-13-cyclohexyl-3-methoxy-. 1HNMR (300 MHz, DMSO-d6) δ 8.09 (s. 1H), 7.82 (d, J=9.5 Hz, 1H), 7.57 (d, J=8.4 Hz, 1H), 7.47 (d, J=9.5 Hz, 1H), 7.24-6.95 (m, 3H), 5.20-5.02 (m, 1H), 4.23-4.04 (m, 1H), 3.86 (s, 3H), 3.86-3.74 (m, 2H), 2.85 (s, 3H), 2.82-2.71 (m, 1H), 2.12-1.12 (m, 10H). LCMS: m/e 503 (M+H)+, ret time 2.83 min, column B, 3 minute gradient.

後処理

  1. filtrationthe resulting solids were collected by filtration
  2. washwashed with H2O
  3. customdried on the
  4. filtrationfilter with aspirator vacuum for 1 h
  5. temperatureThe reaction mixture was heated in a sealed tube with microwave irradiation at 85° C. for 20 min
  6. temperatureThe reaction was cooled
  7. concentrationconcentrated
  8. filtrationthe solids were collected by filtration
  9. customflushed with H2O
  10. customdried
  11. custompurified by preparative HPLC (MeOH/H2O with an NH4OAc buffer)

出典と根拠

ORDレコード
ord-ae3ab259a1b9475088f9bd29069f0ff4
出典データセット
uspto-grants-2009_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07473688B2

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