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Phenylacetic Acid → HCID 67333180, 화합물

HRID 1988080
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HRID 1988080 반응식
[C:1]1([CH2:7][C:8]([OH:10])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CCN=C=NCCCN(C)C.[C:22]([O:26][C:27](=[O:54])[CH:28]([NH:38][C:39]([C:41]1[CH:46]=[CH:45][C:44]([C:47]2[CH:52]=[CH:51][C:50]([NH2:53])=[CH:49][CH:48]=2)=[CH:43][CH:42]=1)=[O:40])[CH2:29][CH2:30][C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])([CH3:25])([CH3:24])[CH3:23].CCN(CC)CC>CN(C=O)C.CN(C1C=CN=CC=1)C>[C:22]([O:26][C:27](=[O:54])[CH:28]([NH:38][C:39]([C:41]1[CH:42]=[CH:43][C:44]([C:47]2[CH:48]=[CH:49][C:50]([NH:53][C:8](=[O:10])[CH2:7][C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)=[CH:51][CH:52]=2)=[CH:45][CH:46]=1)=[O:40])[CH2:29][CH2:30][C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])([CH3:23])([CH3:24])[CH3:25]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 999Phenylacetic AcidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 67333061HCID 67333061, 화합물

생성물 1

HCID 67333180HCID 67333180, 화합물수율 12.1%

시약·촉매·용매 2

HCID 14284
4-(Dimethylamino)pyridine
촉매
HCID 6228Dimethylformamide용매

실험 절차

A solution of phenylacetic acid (89 mg, 0.65 mmol, 1 equiv) in DMF (10 mL) was added to EDCI (188 mg, 0.98 mmol, 1.5 equiv.). After stirring for 20 min, 2-[(4′-Amino-biphenyl-4-carbonyl)-amino]-pentanedioic acid di-tert-butyl ester (297 mg, 0.65 mmol, 1 equiv.) was added, followed by the addition of Et3N (0.23 mL, 1.64 mmol, 2.5 equiv.) and DMAP (16 mg, 0.13 mmol, 20%). The reaction mixture was allowed to stir at room temperature overnight. Reaction was complete as determined by TLC. DMF was removed and the residue was dissolved in EtOAc. The organic layer was washed with H2O and brine, and then dried over MgSO4. After solvent was evaporated, the crude residue was purified by HPLC to give 45 mg of 2-[(4′-Phenylacetylamino-biphenyl-4-carbonyl)-amino]-pentanedioic acid di-tert-butyl ester in 12% yield. MS (ESI) m/z 573.

후처리

  1. stirringto stir at room temperature overnight
  2. customReaction
  3. customDMF was removed
  4. dissolutionthe residue was dissolved in EtOAc
  5. washThe organic layer was washed with H2O and brine
  6. dry with materialdried over MgSO4
  7. customAfter solvent was evaporated
  8. customthe crude residue was purified by HPLC

출처 및 근거

ORD 기록
ord-ea1d51ab4c5d4028937bf4690102bdae
출처 데이터셋
uspto-grants-2009_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07553873B2

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