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Triethylamine → HCID 178472560、化合物

HRID 1514787
ノート
印刷プレビュー

反応式

HRID 1514787 の反応式
[Cl:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:13]=[CH:12][C:11]([CH2:14][C@H:15]([NH:19][C@H:20]([C:22]([O:24][CH2:25][CH3:26])=[O:23])[CH3:21])[C:16](O)=[O:17])=[CH:10][CH:9]=2)[CH:5]=[CH:6][CH:7]=1.ClC(Cl)(OC(=O)OC(Cl)(Cl)Cl)Cl.C(N(CC)CC)C.[NH2:46][C:47]1[NH:51][N:50]=[N:49][N:48]=1>ClCCl.C([O-])(O)=O.[Na+].CCOC(C)=O>[CH2:25]([O:24][C:22](=[O:23])[C@@H:20]([NH:19][C@H:15]([C:16](=[O:17])[NH:46][C:47]1[NH:51][N:50]=[N:49][N:48]=1)[CH2:14][C:11]1[CH:12]=[CH:13][C:8]([C:4]2[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=2)=[CH:9][CH:10]=1)[CH3:21])[CH3:26]
参加物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 8471TriethylamineHCID 94429TriphosgeneHCID 58280516(S)-3-(3'-Chloro-[1,1'-biphenyl]-4-yl)-2-(((S)-1-ethoxy-1-oxopropan-2-yl)amino)propanoic acidHCID 178509299HCID 178509299、化合物

生成物 1

HCID 178472560HCID 178472560、化合物収率 81.6%

試薬・触媒・溶媒 3

HCID 6344
Dichloromethane
溶媒
HCID 8857Ethyl Acetate溶媒
HCID 516892Sodium Bicarbonate溶媒

実験手順

To a suspension of (S)-3-(3′-chloro-biphenyl-4-yl)-2-((S)-1-ethoxycarbonyl-ethylamino)-propionic acid (4.0 g, 10.84 mmol) in dichloromethane (60 mL) and saturated aqueous NaHCO3 (10 mL) was added triphosgene (1.90 g, 6.39 mmol). After vigorously stirred for 0.5 hour, the reaction mixture was diluted with EtOAc and partially concentrated under reduced pressure. Excess of triphosgene was quenched by adding saturated aqueous NaHCO3 and stirred for 0.5 hour. The mixture was extracted with EtOAc and washed with brine. The organic layer was dried over Na2SO4 and concentrated under reduced pressure. The obtained residue was dissolved in dichloromethane (50 mL). To the mixture was added triethylamine (1.93 mL, 13.8 mmol) and 5-amino-1H-tetrazole (1.18 g, 13.84 mmol) at 0° C., and the reaction mixture was gradually warmed to room temperature. After stirred for 2 hours, the reaction mixture was concentrated and purified by silica gel column chromatography (eluent: 10% MeOH in dichloromethane) to give a mixture of the desired trans isomer product and the cis isomer. The obtained material was re-crystallized from CH3CN three times to give (S)-2-[(S)-2-(3′-chloro-biphenyl-4-yl)-1-(1H-tetrazol-5-ylcarbamoyl)-ethylamino]-propionic acid ethyl ester (3.92 g). 1H NMR (400 MHz, DMSO-d6) δ 1.11 (t, 3H, J=7.1 Hz), 1.15 (d, 3H, J=6.8 Hz), 2.89 (dd, 1H, J=8.1, 13.7 Hz), 3.02 (dd, 1H, J=5.8, 14.0 Hz), 3.27-3.36 (m, 1H), 3.75-3.83 (m, 1H), 4.01 (q, 2H, J=7.1 Hz), 7.34 (d, 2H, J=8.3 Hz), 7.38-7.42 (m, 1H), 7.47 (dd, 1H, J=7.8, 7.8 Hz), 7.60-7.65 (m, 3H), 7.69 (dd, 1H, J=1.8, 1.8 Hz); MS: m/z (MH+) 443; HRMS: calculated for C22H23ClN6O3 (M)+ 442.1, found 442.1; EA: Calculated for C21H23ClN6O3: C, 56.95; H, 5.23; N, 18.97. Found: C, 56.88; H, 5.07; N, 19.1.

後処理

  1. concentrationpartially concentrated under reduced pressure
  2. customExcess of triphosgene was quenched
  3. additionby adding saturated aqueous NaHCO3
  4. stirringstirred for 0.5 hour
  5. extractionThe mixture was extracted with EtOAc
  6. washwashed with brine
  7. dry with materialThe organic layer was dried over Na2SO4
  8. concentrationconcentrated under reduced pressure
  9. dissolutionThe obtained residue was dissolved in dichloromethane (50 mL)
  10. stirringAfter stirred for 2 hours
  11. concentrationthe reaction mixture was concentrated
  12. custompurified by silica gel column chromatography (eluent: 10% MeOH in dichloromethane)
  13. customto give
  14. additiona mixture of the desired trans isomer product
  15. customThe obtained material was re-crystallized from CH3CN three times

出典と根拠

ORDレコード
ord-5697537d2d484f368c291fe511cbaa88
出典データセット
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08222286B2

反応ノート

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