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Triethylamine hydrochloride → [4-(3-Hydroxypyrrolidinyl)-2-phenylbenzoyl]methionine methyl ester

HRID 325239
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HRID 325239 반응식
CO[C:3](=[O:18])[C:4]1[CH:9]=[CH:8][C:7](CCl)=[CH:6][C:5]=1[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.[NH:19]1[CH2:23][CH2:22][CH:21]([OH:24])[CH2:20]1.C([O-])([O-])=O.[K+].[K+].O[Li].O.Cl.[CH3:35][O:36][C:37](=[O:44])[C@H:38]([CH2:40][CH2:41][S:42][CH3:43])[NH2:39].ON1C(=O)C2C=CC=CC=2N=N1.CN(C)CCCN=C=NCC.Cl.C(N(CC)CC)C>[N+](CCCC)(CCCC)(CCCC)CCCC.[I-].CC#N.CO.C(OCC)(=O)C>[CH3:35][O:36][C:37](=[O:44])[C@H:38]([CH2:40][CH2:41][S:42][CH3:43])[NH:39][C:3](=[O:18])[C:4]1[CH:9]=[CH:8][C:7]([N:19]2[CH2:23][CH2:22][CH:21]([OH:24])[CH2:20]2)=[CH:6][C:5]=1[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1
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참가 물질

12

반응물 8

HCID 11130Triethylamine hydrochlorideHCID 11430Potassium CarbonateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 730263-hydroxy-1,2,3-benzotriazin-4(3H)-oneHCID 982104-HydroxypyrrolidineHCID 168937Lithium hydroxide, monohydrateHCID 11435579
L-Methionine, methyl ester, hydrochloride
HCID 544945664-Chloromethyl-2-phenylbenzoic acid methyl ester

생성물 1

HCID 70226038[4-(3-Hydroxypyrrolidinyl)-2-phenylbenzoyl]methionine methyl ester수율 57.6%

시약·촉매·용매 3

HCID 67553Tetrabutylammonium Iodide촉매HCID 6342Acetonitrile용매2회HCID 21584119Ethylacetate methanol용매

실험 절차

A solution of 4-chloromethyl-2-phenylbenzoic acid methyl ester (0.521 g, 2.00 mmol), prepared as in Example 286A, 3-pyrrolidinol (0.178 g, 2.00 mmol), K2CO3 (0.553 g, 4.00 mmol), and Bu4NI (0.0754 g, 0.20 mmol) in CH3CN (5 mL) was stirred for 15 hours, treated with LiOH.H2O (0.506 g, 12.0 mmol), and then heated at reflux for 5 hours. The solution was cooled to ambient temperature and added to a mixture of L-methionine methyl ester hydrochloride (0.807 g, 4.00 mmol), 3-hydroxy-1,2,3-benzotriazin-4(3H)-one (1.66 g, 10.00 mmol), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide (1.96 g, 10.00 mmol), and triethylamine hydrochloride (2.81 g, 20 mmol) in CH3CN (15 mL). After 12 days the mixture was concentrated under reduced pressure and the residue was dissolved in ethyl acetate. The solution was extracted with a 1:1 mixture of H2O and saturated aqueous NaHCO3 (4×) and brine. The organic phase was dried (MgSO4) and concentrated to provide a gold oil. Radial chromatography (12% methanol-ethyl acetate) afforded the desired compound (0.494 g, 56%).

후처리

  1. temperatureheated
  2. temperatureat reflux for 5 hours
  3. concentrationAfter 12 days the mixture was concentrated under reduced pressure
  4. dissolutionthe residue was dissolved in ethyl acetate
  5. extractionThe solution was extracted with a 1:1 mixture of H2O and saturated aqueous NaHCO3 (4×) and brine
  6. dry with materialThe organic phase was dried (MgSO4)
  7. concentrationconcentrated
  8. customto provide a gold oil

출처 및 근거

ORD 기록
ord-12062b0b96474b3db5312d55de694777
출처 데이터셋
uspto-grants-2001_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06221865B1

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