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

Triethylamine → Methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-(3-pyridinylamino)-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate

HRID 2041781
ノート
印刷プレビュー

反応式

HRID 2041781 の反応式
[CH3:1][O:2][C:3](=[O:26])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[N:16]([C:20](=[O:22])[CH3:21])[C@@H:15]([CH3:23])[CH2:14][C@H:13]3[NH2:24])=[C:6]([CH3:25])[CH:5]=1.C(N(CC)CC)C.[N:34]1[CH:39]=[CH:38][CH:37]=[C:36](B(O)O)[CH:35]=1.B(O)O.O.N>ClCCl.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[NH3:16].[C:20]([N:16]1[C:17]2[C:12](=[CH:11][C:10]([C:7]3[CH:8]=[CH:9][C:4]([C:3]([O:2][CH3:1])=[O:26])=[CH:5][C:6]=3[CH3:25])=[CH:19][CH:18]=2)[C@H:13]([NH:24][C:36]2[CH:35]=[N:34][CH:39]=[CH:38][CH:37]=2)[CH2:14][C@@H:15]1[CH3:23])(=[O:22])[CH3:21]
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 5

HCID 8471TriethylamineHCID 61668Boronic AcidHCID 27343783-Pyridinylboronic acid2 回HCID 12896473Azane;hydrateHCID 67206975Methyl-4-[(2S,4R)-1-acetyl-4-amino-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate

生成物 2

HCID 222Ammonia
HCID 67206073
Methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-(3-pyridinylamino)-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate
収率 50%

試薬・触媒・溶媒 2

HCID 8895Cupric acetate触媒HCID 6344Dichloromethane溶媒2 回

実験手順

Methyl-4-[(2S,4R)-1-acetyl-4-amino-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate (for a preparation see Intermediate 96) (40 mg, 0.113 mmol) was dissolved in dichloromethane (DCM) (1.5 mL) and treated with copper(II) acetate (30.9 mg, 0.170 mmol) and triethylamine (0.047 mL, 0.340 mmol) The resulting mixture was stirred at room temperature for a few minutes then pyridine-3-boronic acid (41.9 mg, 0.340 mmol) was added. After 5 h, further boronic acid (3.5 mg, 0.028 mmol, 0.25 eq) was added and the mixture stirred at room temperature. The stirring was continued for 7 days with 10 additions of pyridine-3-boronic acid (41.9 mg, 0.340 mmol) at regular intervals (except on day 4 and day 5). The reaction mixture was then treated with a 3:1 water/ammonia 0.88 (1 mL), then was stirred for 10 min before being diluted with DCM (20 mL). The layers were separated and the organic phase was washed with a saturated NaHCO3 aqueous solution. The combined aqueous phases were extracted with DCM (20 mL). The combined organic phases were dried using a hydrophobic frit and then concentrated in vacuo. Purification of the residue on SP4 using a 10 G silica cartridge (gradient:50 to 100% AcOEt in Hexanes then 0 to 10% (2M NH3 in MeOH) in DCM) gave Methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-(3-pyridinylamino)-1,2,3,4-tetrahydro-6-quinolinyl]-3-methylbenzoate (25 mg, 50%) as a yellow oil.

後処理

  1. stirringthe mixture stirred at room temperature
  2. stirringwas stirred for 10 min
  3. customThe layers were separated
  4. washthe organic phase was washed with a saturated NaHCO3 aqueous solution
  5. extractionThe combined aqueous phases were extracted with DCM (20 mL)
  6. customThe combined organic phases were dried
  7. concentrationconcentrated in vacuo
  8. customPurification of the residue on SP4

出典と根拠

ORDレコード
ord-53594c3755a64beba313157404ce8ecb
出典データセット
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08580957B2

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