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 → 1-{5-[3-(Aminosulfonyl)phenyl]-6-(4-fluorophenyl)-2-(trifluoro methyl)pyrimidin-4-yl}piperidine-4-carboxylic acid

HRID 251427
ノート
印刷プレビュー

反応式

HRID 251427 の反応式
[NH2:1][S:2]([C:5]1[CH:6]=[C:7]([C:11]2[C:12]([N:28]3[CH2:33][CH2:32][CH:31]([C:34]([O:36]CC)=[O:35])[CH2:30][CH2:29]3)=[N:13][C:14]([C:24]([F:27])([F:26])[F:25])=[N:15][C:16]=2[C:17]2[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=2)[CH:8]=[CH:9][CH:10]=1)(=[O:4])=[O:3].O.[OH-].[Li+].Cl>O1CCCC1.O>[NH2:1][S:2]([C:5]1[CH:6]=[C:7]([C:11]2[C:12]([N:28]3[CH2:33][CH2:32][CH:31]([C:34]([OH:36])=[O:35])[CH2:30][CH2:29]3)=[N:13][C:14]([C:24]([F:27])([F:25])[F:26])=[N:15][C:16]=2[C:17]2[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=2)[CH:8]=[CH:9][CH:10]=1)(=[O:3])=[O:4]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 313Hydrochloric AcidHCID 168937Lithium hydroxide, monohydrateHCID 24959756Ethyl 1-{5-[3-(aminosulfonyl)phenyl]-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-yl}piperidine-4-carboxylate

生成物 1

HCID 249619571-{5-[3-(Aminosulfonyl)phenyl]-6-(4-fluorophenyl)-2-(trifluoro methyl)pyrimidin-4-yl}piperidine-4-carboxylic acid

試薬・触媒・溶媒 2

HCID 962
Water
溶媒
HCID 8028Tetrahydrofuran溶媒

実験手順

A solution of ethyl 1-{5-[3-(aminosulfonyl)phenyl]-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-yl}piperidine-4-carboxylate (0.4 g, 0.725 mmol) in tetrahydrofuran (4 ml) was treated with lithium hydroxide monohydrate (0.036 g, 0.87 mmol) in water (0.2 ml) and was stirred for 17 hours. Subsequently the reaction mixture was poured onto ice-cold water, acidified with dilute hydrochloric acid and extracted with dichloromethane (25 ml). Evaporation of organic layer furnished the required product. 1H-NMR (DMSO-d) δ: 1.39 (m, 2H), 1.64 (m, 2H), 2.09 (m, 1H), 2.84-2.89 (m, 2H), 3.66 (m, 2H), 7.02-7.07 (m, 2H), 7.07-7.13 (m, 2H), 7.37-7.39 (m, 2H), 7.49-7.53 (m, 1H), 7.69 (s, 1H), 7.72-7.74 (d, 1H), 12.25 (br, 1H, D2O exchangeable). MS m/z: 525.0 (M++1).

後処理

  1. additionSubsequently the reaction mixture was poured onto ice-cold water
  2. extractionextracted with dichloromethane (25 ml)
  3. customEvaporation of organic layer

出典と根拠

ORDレコード
ord-d6d4975e994b42de9171b065c98a4ffc
出典データセット
uspto-grants-2011_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07863446B2

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