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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 4-(2-Cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diazabenzo[4,5]-cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid

HRID 2233073
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HRID 2233073 반응식
C[O:2][C:3](=[O:36])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:16]3=[CH:17][C:18]4[C:19]([CH3:28])([CH3:27])[CH2:20][CH2:21][C:22]([CH3:26])([CH3:25])[C:23]=4[CH:24]=[C:15]3[N:14]([CH3:29])[C:13]3[CH:30]=[CH:31][C:32]([C:34]#[N:35])=[CH:33][C:12]=3[N:11]=2)=[CH:6][CH:5]=1.[OH-].[Na+].Cl>CN(C=O)C.C1COCC1.O>[C:34]([C:32]1[CH:31]=[CH:30][C:13]2[N:14]([CH3:29])[C:15]3[C:16]([C:10]([C:7]4[CH:6]=[CH:5][C:4]([C:3]([OH:36])=[O:2])=[CH:9][CH:8]=4)=[N:11][C:12]=2[CH:33]=1)=[CH:17][C:18]1[C:19]([CH3:28])([CH3:27])[CH2:20][CH2:21][C:22]([CH3:25])([CH3:26])[C:23]=1[CH:24]=3)#[N:35]
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참가 물질

7

반응물 3

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 684663844-(2-Cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]-cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid methyl ester

생성물 1

HCID 98690304-(2-Cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diazabenzo[4,5]-cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid

시약·촉매·용매 3

HCID 962
Water
용매
HCID 6228Dimethylformamide용매
HCID 8028Tetrahydrofuran용매

실험 절차

To a solution of 4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diazabenzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl)benzoic acid methyl ester (33) (R4=CH3, Z=H, 12.3 mmol) in DMF (15 mL) and THF (45 mL) is added 2 N NaOH (18.5 mmol) at room temperature. The reaction mixture is stirred at the same temperature for 1 day. The mixture is acidified by 1 N HCl (30 mL), diluted with H2O, and extracted with EtOAc. The organic layer is dried over MgSO4 and evaporated in vacuo. The resulting solid is washed with hexane and Et2O to give (34) (R4=CH3, Z=H): 1H-NMR (CDCl3) δ: 1.08 (3H, s), 1.15 (3H, s), 1.28 (3H, s), 1.32 (3H, s), 1.61-1.72 (4H, m), 3.28 (3H, s), 6.90 (1H, s), 6.63 (1H, s), 6.99 (1H, d), 7.41 (1H, dd), 7.57 (1H, d), 7.90 (2H, d), 8.17 (2H, d).

후처리

  1. extractionextracted with EtOAc
  2. dry with materialThe organic layer is dried over MgSO4
  3. customevaporated in vacuo
  4. washThe resulting solid is washed with hexane and Et2O

출처 및 근거

ORD 기록
ord-0b060d3bea6d4e74bfadae0fcc65dcfb
출처 데이터셋
uspto-grants-2010_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07709470B2

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