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Sodium Acetate → HCID 66649696、化合物

HRID 420319
ノート
印刷プレビュー

反応式

HRID 420319 の反応式
Cl.[NH2:2][C@@H:3]1[C@@H:8]([OH:9])[C@H:7]([CH2:10][C:11]2[CH:16]=[C:15]([O:17][C@@:18]([CH3:25])(OC)[C:19]([F:22])([F:21])[F:20])[C:14]([N+:26]([O-:28])=[O:27])=[C:13]([F:29])[CH:12]=2)[CH2:6][S:5][CH2:4]1.C[C:31]([O-:33])=O.[Na+].[C:35]([C:39]1[CH:40]=[C:41]([CH:44]=[CH:45][CH:46]=1)[CH:42]=O)([CH3:38])([CH3:37])[CH3:36].[BH3-]C#N.[Na+]>CO.C(Cl)Cl.C(O)(=O)C>[C:35]([C:39]1[CH:40]=[C:41]([CH:44]=[CH:45][CH:46]=1)[CH2:42][NH:2][C@@H:3]1[C@@H:8]([OH:9])[C@H:7]([CH2:10][C:11]2[CH:16]=[C:15]([O:17][C@H:18]([CH2:25][O:33][CH3:31])[C:19]([F:22])([F:20])[F:21])[C:14]([N+:26]([O-:28])=[O:27])=[C:13]([F:29])[CH:12]=2)[CH2:6][S:5][CH2:4]1)([CH3:38])([CH3:36])[CH3:37]
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

7

反応物 4

HCID 517045Sodium AcetateHCID 5003444Sodium cyanoborohydrideHCID 101925883-Tert-butylbenzaldehydeHCID 66649592HCID 66649592、化合物

生成物 1

HCID 66649696HCID 66649696、化合物

試薬・触媒・溶媒 2

HCID 176Acetic Acid溶媒
HCID 21226129
Dichloromethane methanol
溶媒

反応条件

温度
25 °C

実験手順

To a solution of (3R,4S,5S)-3-amino-5-[3-fluoro-4-nitro-5-((R)-2,2,2-trifluoro-1-methoxy-methyl-ethoxy)-benzyl]-tetrahydro-thiopyran-4-ol hydrochloride (1.217 g, 2.52 mmol) in MeOH-CH2Cl2 1:2 (28 mL) was added NaOAc (0.517 g, 6.3 mmol), powdered molecular sieves (4A) and 3-tert-butyl-benzaldehyde (CAS registry 23039-28-3) (0.413 g, 2.55 mmol). The reaction mixture was stirred at 25° C. for 16 h, acetic acid (0.5 mL) was added followed by NaBH3CN (0.396 g, 6.3 mmol). The reaction mixture was stirred at room temperature for 3 h and was quenched by adding 2N aq. HCl solution. EtOAc was added and the solution was washed with 2N K2CO3 solution and with brine. The organic phase was dried over Na2SO4, filtered and evaporated. The title compound was obtained after purification by flash-chromatography on NH4OH deactivated silica gel (90 g, toluene-EtOAc 1:1) as a light yellow oil: TLC (toluene-ETA 85:15) Rf=0.52; HPLC RtA=2.178 min; ESIMS [M+H]+=575; 1H NMR (600 MHz, CDCl3): δ 7.33 (s, 1H), 7.28 (s, 1H), 7.26 (m, 2H), 7.18-7.08 (m, 2H), 5.7 (broad, 1H), 5.06 (d, 1H), 3.9-3.78 (m, 2H), 3.71-3.62 (m, 2H), 3.31 (s, 3H), 3.22 (d, 1H), 2.90 (m, 1H), 2.82 (d, 1H), 2.55 (m, 1H), 2.48 (s broad, 1H), 2.41 (m, 1H), 2.35-2.20 (m, 3H), 1.93 (m, 1H), 1.25 (s, 9H).

後処理

  1. stirringThe reaction mixture was stirred at room temperature for 3 h
  2. customwas quenched
  3. additionby adding 2N aq. HCl solution
  4. additionEtOAc was added
  5. washthe solution was washed with 2N K2CO3 solution and with brine
  6. dry with materialThe organic phase was dried over Na2SO4
  7. filtrationfiltered
  8. customevaporated

出典と根拠

ORDレコード
ord-23c60799a5674907b7f175a4b3d8245d
出典データセット
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08093406B2

反応ノート

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