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Hydrochloric Acid → benzyl N-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamate

HRID 2364708
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HRID 2364708 반응식
[CH2:1]([O:8][C:9]([NH:11][CH2:12][C@@H:13]([OH:28])[CH2:14][N:15]1[CH2:20][CH2:19][N:18]([C:21](OC(C)(C)C)=O)[CH2:17][CH2:16]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.C=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])[O-].[Na+].[Na+]>ClCCl.O1CCOCC1.C(O)(=O)C.C(#N)C.O>[OH:28][C@@H:13]([CH2:14][N:15]1[CH2:20][CH2:19][N:18]([CH3:21])[CH2:17][CH2:16]1)[CH2:12][NH:11][C:9](=[O:10])[O:8][CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
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참가 물질

11

반응물 5

HCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 10340Sodium CarbonateHCID 5049666Sodium triacetoxyborohydrideHCID 68107180tert-butyl 4-[(2R)-3-benzyloxycarbonylamino-2-hydroxy-propyl]piperazine-1-carboxylate

생성물 1

HCID 68108054benzyl N-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamate
수율 56.3%

시약·촉매·용매 5

HCID 176Acetic Acid용매HCID 962Water용매HCID 6342Acetonitrile용매HCID 6344Dichloromethane용매HCID 312751,4-Dioxane용매

실험 절차

Tert-butyl 4-[(2R)-3-benzyloxycarbonylamino-2-hydroxy-propyl]piperazine-1-carboxylate 20c (1.80 g, 4.80 mmol) was dissolved in 30 mL of dichloromethane followed by the addition of 20 mL of a solution of hydrogen chloride in dioxane. The reaction solution was stirred for 0.5 hours. The reaction solution was concentrated under reduced pressure, added with 30 mL of water and 30 mL of acetonitrile, formaldehyde (288 mg, 9.6 mmol) and dropwise with 0.1 mL of acetic acid. The resulting solution was stirred for 0.5 hours followed by the addition of sodium triacetoxyborohydride (3.05 g, 14.40 mmol). The reaction solution was stirred for 12 hours, added dropwise with saturated sodium carbonate solution to adjust pH to 10 and extracted with ethyl acetate (50 mL×3). The combined organic phase was washed with saturated sodium chloride solution (50 mL×3), then dried over anhydrous magnesium sulfate, filtered and the filtrate was concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography to obtain the title compound benzyl N-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamate 20d (830 mg, yield: 56.0%) as a yellow oil.

후처리

  1. concentrationThe reaction solution was concentrated under reduced pressure
  2. stirringThe resulting solution was stirred for 0.5 hours
  3. stirringThe reaction solution was stirred for 12 hours
  4. extractionextracted with ethyl acetate (50 mL×3)
  5. washThe combined organic phase was washed with saturated sodium chloride solution (50 mL×3)
  6. dry with materialdried over anhydrous magnesium sulfate
  7. filtrationfiltered
  8. concentrationthe filtrate was concentrated under reduced pressure
  9. customThe resulting residue was purified by silica gel column chromatography

출처 및 근거

ORD 기록
ord-d68d9c76b358468e9bb5d7811d7c7d4d
출처 데이터셋
uspto-grants-2014_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08691822B2

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