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Ammonia → HCID 69820399、化合物

HRID 1840520
ノート
印刷プレビュー

反応式

HRID 1840520 の反応式
O=C([N:5]([C:21](=[O:24])[CH2:22][CH3:23])[C:6]1[C:11]([C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)=[CH:10][CH:9]=[CH:8][C:7]=1[S:17]([Cl:20])(=[O:19])=[O:18])CC.Cl.[NH2:26][C@H:27]([C:47](N1CCC(CC)CC1)=[O:48])[CH2:28][CH2:29][CH2:30][CH:31]1[CH2:36][CH2:35][N:34](C(OCC2C=CC=CC=2)=O)[CH2:33][CH2:32]1.C([N:59]([CH2:62][CH3:63])[CH2:60][CH3:61])C.N.Br.O1C[CH2:69][CH2:68][CH2:67]1>ClCCl.C(OCC)(=O)C.C(O)(=O)C>[ClH:20].[CH2:68]([CH:69]1[CH2:61][CH2:60][NH:59][CH2:62][CH:63]1[C:47]([C@@H:27]([NH:26][S:17]([C:7]1[CH:8]=[CH:9][CH:10]=[C:11]([C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)[C:6]=1[NH:5][C:21](=[O:24])[CH2:22][CH3:23])(=[O:18])=[O:19])[CH2:28][CH2:29][CH2:30][CH:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1)=[O:48])[CH3:67]
参加物実験手順後処理出典と根拠反応ノート

参加物

10

反応物 6

HCID 222AmmoniaHCID 260Hydrogen BromideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 23448078HCID 23448078、化合物HCID 86590132HCID 86590132、化合物

生成物 1

HCID 69820399HCID 69820399、化合物
収率 22%

試薬・触媒・溶媒 3

HCID 176Acetic Acid溶媒2 回HCID 6344Dichloromethane溶媒HCID 8857Ethyl Acetate溶媒3 回

実験手順

1.27 g (3.3 mmol) of 2-[bis(1-oxopropyl)amino]-3-thien-2-ylbenzenesulphonyl chloride are added portionwise, at 0° C., to a solution of 1.35 g (3.0 mmol) of phenylmethyl (S)-4-[4-amino-5-(4-ethylpiperid-1-yl)-5-oxopentyl]piperidine-1-carboxylate hydrochloride and 0.96 ml (6.9 mmol) of triethylamine (TEA) in 15 ml of dichloromethane. The mixture is allowed to warm slowly to room temperature and the reaction is continued for 18 hours. The reaction mixture is taken up in 250 ml of ethyl acetate and is washed with 100 ml of 1N hydrochloric acid solution and with 100 ml of saturated sodium hydrogen carbonate solution and with 100 ml of saturated sodium chloride solution. The resulting product is dried over sodium sulphate and is filtered and then concentrated under reduced pressure. The residue obtained is taken up in 100 ml of tetrahydrofuran (THF) and is cooled to 0° C. and then treated for 5 minutes with a stream of ammonia. The mixture is allowed to warm to room temperature. After 4 hours, the reaction mixture is concentrated under reduced pressure. The residue obtained is taken up in 250 ml of ethyl acetate, washed with 50 ml of 1N hydrochloric acid solution and then with 50 ml of saturated sodium hydrogen carbonate solution and with 50 ml of saturated sodium chloride solution. The resulting product is dried over sodium sulphate and filtered and then concentrated under reduced pressure. The residue obtained is taken up in 1.2 ml of acetic acid, cooled to 0° C. and then treated with a 5N solution of hydrogen bromide in 1.2 ml of acetic acid, added dropwise. The mixture is allowed to warm to room temperature. After 4 hours, the reaction mixture is concentrated under reduced pressure. The residue obtained is taken up in 250 ml of ethyl acetate and is washed with 50 ml of saturated sodium hydrogen carbonate solution and then with 50 ml of saturated sodium chloride solution. The resulting product is dried over sodium sulphate and filtered and is then concentrated after addition of a 0.1N solution of hydrogen chloride in 40 ml of isopropanol. The residue obtained is purified by chromatography on an RP18 column, eluting with an acetonitrile/water gradient of from 5/95 to 30/70. 0.36 g of (S)-N-[2-[[[1-[(4-ethylpiperid-3-yl)carbonyl]-4-piperid-4-ylbutyl]amino]sulphonyl]-6-thien-2-ylphenyl]propanamide hydrochloride is obtained.

後処理

  1. washis washed with 100 ml of 1N hydrochloric acid solution and with 100 ml of saturated sodium hydrogen carbonate solution and with 100 ml of saturated sodium chloride solution
  2. dry with materialThe resulting product is dried over sodium sulphate
  3. filtrationis filtered
  4. concentrationconcentrated under reduced pressure
  5. customThe residue obtained
  6. temperatureis cooled to 0° C.
  7. temperatureto warm to room temperature
  8. waitAfter 4 hours
  9. concentrationthe reaction mixture is concentrated under reduced pressure
  10. customThe residue obtained
  11. washwashed with 50 ml of 1N hydrochloric acid solution
  12. dry with materialThe resulting product is dried over sodium sulphate
  13. filtrationfiltered
  14. concentrationconcentrated under reduced pressure
  15. customThe residue obtained
  16. temperaturecooled to 0° C.
  17. additionadded dropwise
  18. temperatureto warm to room temperature
  19. waitAfter 4 hours
  20. concentrationthe reaction mixture is concentrated under reduced pressure
  21. customThe residue obtained
  22. washis washed with 50 ml of saturated sodium hydrogen carbonate solution
  23. dry with materialThe resulting product is dried over sodium sulphate
  24. filtrationfiltered
  25. concentrationis then concentrated
  26. additionafter addition of a 0.1N solution of hydrogen chloride in 40 ml of isopropanol
  27. customThe residue obtained
  28. customis purified by chromatography on an RP18 column
  29. washeluting with an acetonitrile/water gradient of from 5/95 to 30/70

出典と根拠

ORDレコード
ord-b26cc225b0db4c15a83befac5de55ed2
出典データセット
uspto-grants-2004_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06680329B2

反応ノート

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