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(alphaR)-alpha-((Methoxycarbonyl)amino)benzeneacetic acid → HCID 178495707, 화합물

HRID 1412998
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HRID 1412998 반응식
[CH3:1][O:2][C:3]([NH:5][C@H:6]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:7]([OH:9])=O)=[O:4].CCOC(C(C#N)=NOC(N1CCOCC1)=[N+](C)C)=O.F[P-](F)(F)(F)(F)F.[CH3:43][O:44][CH2:45][C@@H:46]1[CH2:50][N:49](C(OC(C)(C)C)=O)[C@H:48]([C:58]2[NH:59][C:60]([C:63]3[CH:68]=[C:67]4[CH2:69][O:70][C:71]5[CH:88]=[C:87]6[C:74]([CH:75]=[CH:76][C:77]7[N:81]=[C:80]([C@@H:82]8[CH2:86][CH2:85][CH2:84][NH:83]8)[NH:79][C:78]=76)=[CH:73][C:72]=5[C:66]4=[CH:65][CH:64]=3)=[CH:61][N:62]=2)[CH2:47]1>CCN(C(C)C)C(C)C.CN(C=O)C>[CH3:1][O:2][C:3](=[O:4])[NH:5][C@H:6]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:7]([N:83]1[CH2:84][CH2:85][CH2:86][C@H:82]1[C:80]1[NH:79][C:78]2[C:87]3[C:74]([CH:75]=[CH:76][C:77]=2[N:81]=1)=[CH:73][C:72]1[C:66]2[C:67]([CH2:69][O:70][C:71]=1[CH:88]=3)=[CH:68][C:63]([C:60]1[NH:59][C:58]([C@@H:48]3[CH2:47][C@H:46]([CH2:45][O:44][CH3:43])[CH2:50][NH:49]3)=[N:62][CH:61]=1)=[CH:64][CH:65]=2)=[O:9]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 10910775(alphaR)-alpha-((Methoxycarbonyl)amino)benzeneacetic acidHCID 75951468(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphateHCID 178495693HCID 178495693, 화합물

생성물 1

HCID 178495707HCID 178495707, 화합물

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
HCID 81531Diisopropylethylamine용매

실험 절차

A mixture of (R)-2-(methoxycarbonylamino)-2-phenylacetic acid (22 mg, 0.105 mmol), COMU (45 mg, 0.069 mmol), and tert-butyl(2S,4S)-4-(methoxymethyl)-2-(5-{2-[(2S)-pyrrolidin-2-yl]-1,11-dihydroisochromeno[4′,3′:6,7]naphtho[1,2-d]imidazol-9-yl}-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (65 mg, 0.105 mmol) in 1.5 mL 10% DIPEA in DMF was stirred for 1.5 h. The reaction mixture was partitioned between ethyl acetate and saturated sodium bicarbonate. The organic phase was dried over sodium sulphate, filtered and concentrated under reduced pressure. The crude intermediate was treated with 8 mL 1.25N HCl in ethanol at 50° C. for 4 h. Added saturated sodium bicarbonate and extracted the free base into dichloromethane. (106 mg).

후처리

  1. customThe reaction mixture was partitioned between ethyl acetate and saturated sodium bicarbonate
  2. dry with materialThe organic phase was dried over sodium sulphate
  3. filtrationfiltered
  4. concentrationconcentrated under reduced pressure
  5. additionThe crude intermediate was treated with 8 mL 1.25N HCl in ethanol at 50° C. for 4 h
  6. extractionAdded saturated sodium bicarbonate and extracted the free base into dichloromethane

출처 및 근거

ORD 기록
ord-b0c142f22b254a12955622f659c83809
출처 데이터셋
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08921341B2

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