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Triethylamine → HCID 71711602、化合物

HRID 470934
ノート
印刷プレビュー

反応式

HRID 470934 の反応式
[C:1]([O:5][CH:6]([C:10]1[C:11]([CH:29]([CH3:31])[CH3:30])=[N:12][C:13]2[C:14]([CH3:28])([CH3:27])[CH2:15][NH:16][CH2:17][C:18]=2[C:19]=1[C:20]1[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].CCN(CC)CC.[F:39][C:40]1[CH:45]=[CH:44][C:43]([CH2:46][C:47](Cl)=[O:48])=[CH:42][CH:41]=1>C(Cl)Cl>[C:1]([O:5][CH:6]([C:10]1[C:11]([CH:29]([CH3:31])[CH3:30])=[N:12][C:13]2[C:14]([CH3:28])([CH3:27])[CH2:15][N:16]([C:47](=[O:48])[CH2:46][C:43]3[CH:44]=[CH:45][C:40]([F:39])=[CH:41][CH:42]=3)[CH2:17][C:18]=2[C:19]=1[C:20]1[CH:21]=[CH:22][C:23]([F:26])=[CH:24][CH:25]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 8471TriethylamineHCID 37449884-Fluorophenylacetyl chlorideHCID 717115302-Tert-butoxy-2-(4-(4-fluorophenyl)-2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)acetic acid

生成物 1

HCID 71711602HCID 71711602、化合物収率 11.8%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

To a solution of 2-tert-butoxy-2-(4-(4-fluorophenyl)-2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)acetic acid (example 1) (10.1 mg, 0.024 mmol) in CH2Cl2 (5 mL) was added Et3N (9.85 μl, 0.071 mmol) followed by 2-(4-fluorophenyl)acetyl chloride (6.10 mg, 0.035 mmol) and the resulting mixture stirred at room temperature. (Mixture became a clear, colorless solution within 30 min.) After 3 h, the solvent was removed and the residue was taken up in MeOH/DMF and purified by preparative HPLC (10% AcCN/90% H2O/0.1% NH4OAc, Sunfire 19×100 mm, C18, 5 μm). The product containing fractions were concentrated to remove the organic solvent and the resulting precipitate isolated by filtration and washed with water to give 2-tert-butoxy-2-(4-(4-fluorophenyl)-6-(2-(4-fluorophenyl)acetyl)-2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)acetic acid (1.6 mg, 11.78% yield) as a white solid. 1H NMR (400 MHz, CD3OD) δ ppm 7.13-7.53 (5H, m), 6.88-7.09 (3H, m), 4.80-4.88 (1H, m), 4.32-4.46 (0.5H, m), 4.18-4.32 (1H, m), 3.97 (0.5H, d, J=16.56 Hz), 3.79-3.92 (1.5H, m), 3.55-3.68 (3H, m), 3.52 (0.5H, d, J=13.05 Hz), 1.37 (3H, d, J=6.53 Hz), 1.32 (3H, d, J=7.53 Hz), 1.27 (3H, dd, J=6.27, 5.02 Hz), 1.15 (3H, dd, J=6.53, 4.77 Hz), 0.91-1.06 (9H, m). 19F NMR (400 MHz, CD3OD) δ ppm −114.90, −115.19, −117.98, −118.41. LCMS (M+H) calcd for C33H39F2N2O4: 565.28. found: 565.4.

後処理

  1. customwithin 30 min.
  2. customAfter 3 h
  3. customthe solvent was removed
  4. custompurified by preparative HPLC (10% AcCN/90% H2O/0.1% NH4OAc, Sunfire 19×100 mm, C18, 5 μm)
  5. additionThe product containing fractions
  6. concentrationwere concentrated
  7. customto remove the organic solvent
  8. customthe resulting precipitate isolated by filtration
  9. washwashed with water

出典と根拠

ORDレコード
ord-17515b3c84074052bc3b149fe1a49c4a
出典データセット
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08629276B2

反応ノート

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