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N-Acetyl-DL-cysteine → 5-(2-Acetylamino-3-mercapto-propionylamino)-2-hydroxy-benzoic acid

HRID 604254
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HRID 604254 반응식
[C:1]([NH:4][CH:5]([CH2:9][SH:10])[C:6]([OH:8])=O)(=[O:3])[CH3:2].OC1C2N=NNC=2C=CC=1.C1CCC(N=C=NC2CCCCC2)CC1.C([O:40][C:41](=[O:54])[C:42]1[CH:47]=[C:46]([NH2:48])[CH:45]=[CH:44][C:43]=1[O:49]C(C)(C)C)(C)(C)C>CN(C)C=O.C(OCC)(=O)C>[C:1]([NH:4][CH:5]([CH2:9][SH:10])[C:6]([NH:48][C:46]1[CH:45]=[CH:44][C:43]([OH:49])=[C:42]([CH:47]=1)[C:41]([OH:54])=[O:40])=[O:8])(=[O:3])[CH3:2]
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7

반응물 4

HCID 581N-Acetyl-DL-cysteineHCID 10868DicyclohexylcarbodiimideHCID 667387675-Amino-2-tert-butoxy-benzoic acid tert-butyl esterHCID 178418300HCID 178418300, 화합물

생성물 1

HCID 119766755-(2-Acetylamino-3-mercapto-propionylamino)-2-hydroxy-benzoic acid수율 78%

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
HCID 8857Ethyl Acetate용매

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온도
0 °C

실험 절차

To the solution of 2-acetylamino-3-mercapto-propionic acid (3.0 mmol) in 50 mL of dimethylformamide, hydroxybenzotriazole (3.3 mmol) and DCC (3.3 mmol) were added with stirring at 0° C. for 1 h. To the reaction mixture, 4 or 5-amino-2-tert-butoxy-benzoic acid tert-butyl ester (3) (3.0 mmol) was added and stirred mechanically for 3 h at 0° C. and 72 h at room temperature. After filtration, the filtrate was evaporated under reduced pressure to remove the solvent. The oily residue thus obtained was dissolved in ethyl acetate; the organic layer was washed with brine, dried on anhydrous MgSO4, filtered and the solvent evaporated. The crude intermediate 4 was treated with a solution of TFA (40%) in CH2Cl2. After 2 h the solvent was removed to obtain compound (5) as a crude residue. The residue was loaded on a silica gel open column and eluted with CH2Cl2/MeOH (8/2), from which 4 or 5-(2-Acetylamino-3-mercapto-propionylamino)-2-hydroxy-benzoic acid (5), compound of Formula XI, was obtained (78% yield).

후처리

  1. stirringstirred mechanically for 3 h at 0° C. and 72 h at room temperature
  2. filtrationAfter filtration
  3. customthe filtrate was evaporated under reduced pressure
  4. customto remove the solvent
  5. customThe oily residue thus obtained
  6. washthe organic layer was washed with brine
  7. dry with materialdried on anhydrous MgSO4
  8. filtrationfiltered
  9. customthe solvent evaporated
  10. additionThe crude intermediate 4 was treated with a solution of TFA (40%) in CH2Cl2
  11. customAfter 2 h the solvent was removed

출처 및 근거

ORD 기록
ord-4115197dd9ae452793332495b09bef05
출처 데이터셋
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07910568B2

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