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1,2-Dichloroethane → (S)-S-3-(benzyloxycarbonylamino)-4-(5-hydroxypentylamino)-4-oxobutyl ethanethioate

HRID 529495
ノート
印刷プレビュー

反応式

HRID 529495 の反応式
[C:1]([S:4][CH2:5][CH2:6][C@H:7]([NH:11][C:12]([O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:13])[C:8]([OH:10])=O)(=[O:3])[CH3:2].[NH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][OH:28].C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1>CCOC(C)=O.C(Cl)Cl>[C:1](=[O:3])([S:4][CH2:5][CH2:6][C@H:7]([NH:11][C:12]([O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:13])[C:8]([NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][OH:28])=[O:10])[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

7

反応物 4

HCID 111,2-DichloroethaneHCID 756345-Aminopentan-1-olHCID 757711-HydroxybenzotriazoleHCID 10757408(2S)-4-(acetylsulfanyl)-2-{[(benzyloxy)carbonyl]amino}butanoic acid

生成物 1

HCID 86706209(S)-S-3-(benzyloxycarbonylamino)-4-(5-hydroxypentylamino)-4-oxobutyl ethanethioate収率 78.4%

試薬・触媒・溶媒 2

HCID 6344
Dichloromethane
溶媒
HCID 8857Ethyl Acetate溶媒

実験手順

To a round bottom flask was added (S)-4-(acetylthio)-2-(benzyloxycarbonylamino)butanoic acid (312 mg, 1.00 mmol), 5-aminopentan-1-ol (119 mg, 1.15 mmol), DCM (5 mL), EDC (211 mg, 1.10 mmol) and HOBt (184 mg, 1.20 mmol). The light yellow mixture was stirred at rt for 16 hr. The reaction mixture was diluted with EtOAc (60 mL), washed with 5% aqueous KHSO4 (2×), saturated aqueous NaHCO3 (2×), water, and saturated aqueous NaCl. The organic layer was separated, dried over Na2SO4, filtered and concentrated. The residue was purified using silica gel chromatography (ISCO system) eluting with a gradient of 0-100% EtOAc/Hex to give (S)—S-3-(benzyloxycarbonylamino)-4-(5-hydroxypentylamino)-4-oxobutyl ethanethioate (311 mg, 0.784 mmol, 78% yield) as a white solid. Anal. Calcd. for C19H28N2O5S m/z 396.5. found: 397.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.47-7.28 (m, 5H), 6.41 (s, 1H), 5.59 (d, J=6.7 Hz, 1H), 5.11 (s, 2H), 4.13 (d, J=6.7 Hz, 1H), 3.63 (dd, J=11.6, 6.1 Hz, 2H), 3.28 (dd, J=12.7, 6.3 Hz, 2H), 2.97 (dt, J=14.5, 7.4 Hz, 1H), 2.91-2.75 (m, 1H), 2.34 (s, 3H), 2.21-2.00 (m, 1H), 1.91 (dt, J=14.4, 7.2 Hz, 1H), 1.72-1.48 (m, 5H), 1.48-1.34 (m, 2H).

後処理

  1. washwashed with 5% aqueous KHSO4 (2×), saturated aqueous NaHCO3 (2×), water, and saturated aqueous NaCl
  2. customThe organic layer was separated
  3. dry with materialdried over Na2SO4
  4. filtrationfiltered
  5. concentrationconcentrated
  6. customThe residue was purified
  7. washeluting with a gradient of 0-100% EtOAc/Hex

出典と根拠

ORDレコード
ord-cb2bb04de0b1467ab76a482501762daf
出典データセット
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09346852B2

反応ノート

読み込み中…

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