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

Ethanol → ethyl 2-((1R,3R)-3-(N-sulfinyl)amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate

HRID 446183
ノート
印刷プレビュー

反応式

HRID 446183 の反応式
[CH2:1]([O:3][C:4]([C:6]1[N:7]=[C:8]([C@H:11]([OH:24])[CH2:12][C:13](=[N:17][S@:18]([C:20]([CH3:23])([CH3:22])[CH3:21])=[O:19])[CH:14]([CH3:16])[CH3:15])[S:9][CH:10]=1)=[O:5])[CH3:2].[BH4-].[Na+].C1COCC1.CC(O)=O.CCO>C1COCC1.CCOC(C)=O.O>[CH2:1]([O:3][C:4]([C:6]1[N:7]=[C:8]([C@H:11]([OH:24])[CH2:12][C@@H:13]([NH:17][S@:18]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:19])[CH:14]([CH3:15])[CH3:16])[S:9][CH:10]=1)=[O:5])[CH3:2]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 702EthanolHCID 4311764Sodium borohydrideHCID 23444217Acetic acid tetrahydrofuranHCID 86650324(+)-2-[(SS,1R)-1-Hydroxy-4-methyl-3-(2-methyl-propane-2-sulfinylimino)-pentyl]-thiazole-4-carboxylic acid ethyl ester

生成物 1

HCID 24906124ethyl 2-((1R,3R)-3-(N-sulfinyl)amino-1-hydroxy-4-methylpentyl)thiazole-4-carboxylate

試薬・触媒・溶媒 3

HCID 962Water溶媒
HCID 8028Tetrahydrofuran溶媒
HCID 8857Ethyl Acetate溶媒

反応条件

温度
-78 °C

実験手順

A solution of the product mixture containing β-hydroxy imine 31 (˜0.943 mmol) and imine 26 (˜0.178 mmol) in THF (3.50 mL) was cooled to −78° C. Ti(OEt)4 (0.469 mL, 2.24 mmol) was added, followed by NaBH4 (0.0847 g, 2.24 mmol), and the solution was stirred at −78° C. for 12 h. The solution was acidified using a 4:1 (v/v) solution of THF/AcOH (3.2 mL) followed by addition of EtOH (2 mL) and H2O (10 mL). The solution was warmed to rt and diluted with EtOAc. The mixture was washed once with brine, and the aqueous fraction was extracted once with EtOAc. The combined organic fractions were dried with Na2SO4, filtered, and concentrated. NMR analysis on the unpurified material established a 92:8 ratio of diastereomers. HPFC purification (100% EtOAc) produced 0.332 g (74%, over two steps) of the pure major diastereomer 32 as a colorless oil. [α]25D=+103.2 (c=1.0, CHCl3). IR (film): 1474, 1718, 2868, 2929, 2960, 3283 cm−1. 1H NMR (500 MHz, CDCl3): δ 0.90 (d, 3H, J=6.8 Hz), 0.93 (d, 3H, J=6.8 Hz), 1.29 (s, 9H), 1.40 (t, 3H, J=7.1 Hz), 1.70 (doublet of septets, 1H, J=2.3, 6.8 Hz), 1.91 (ddd, 1H, J=3.6, 11.5, 14.7 Hz), 2.30 (ddd, 1H, J=3.0, 11.8, 14.7 Hz), 3.30 (d, 1H, J=8.5 Hz), 3.40-3.47 (m, 1H), 4.38-4.45 (m, 2H), 5.18 (ddd, 1H, J=3.1, 6.7, 11.6 Hz), 5.48 (d, 1H, J=6.7 Hz), 8.11 (s, 1H). 13C NMR (125 MHz, CDCl3): δ 14.4, 17.3, 19.7, 23.0, 33.9, 40.6, 56.3, 58.5, 61.3, 67.8, 127.4, 147.0, 161.6, 177.6. HRMS (FAB) calcd. for C16H28N2O4NaS2 (M+Na): 399.1388. Found 399.1389.

後処理

  1. temperatureThe solution was warmed to rt
  2. washThe mixture was washed once with brine
  3. extractionthe aqueous fraction was extracted once with EtOAc
  4. dry with materialThe combined organic fractions were dried with Na2SO4
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customHPFC purification (100% EtOAc)

出典と根拠

ORDレコード
ord-d292a9937a6041e591b234eb56743bd1
出典データセット
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08476451B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート