Hydrochloric Acid → 4-({4-[(4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carbonyl}-amino)-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester

HRID 476405

반응식

HRID 476405 반응식
C(C1NC=CN=1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=O.[CH2:13]([O:15][C:16]([C:18]1[N:19]([CH3:40])[CH:20]=[C:21]([NH:23][C:24]([C:26]2[N:27]([CH3:39])[CH:28]=[C:29]([NH:31][C:32]([O:34]C(C)(C)C)=O)[N:30]=2)=[O:25])[N:22]=1)=[O:17])[CH3:14].Cl.N1C=CC=C1.CCN=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:57])[CH3:56].[O:58]1CCOCC1>CN(C=O)C.CN(C1C=CN=CC=1)C>[CH2:13]([O:15][C:16]([C:18]1[N:19]([CH3:40])[CH:20]=[C:21]([NH:23][C:24]([C:26]2[N:27]([CH3:39])[CH:28]=[C:29]([NH:31][C:32]([C:54]3[N:55]([CH3:56])[CH:57]=[C:52]([NH:51][C:50]([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:58])[CH:53]=3)=[O:34])[N:30]=2)=[O:25])[N:22]=1)=[O:17])[CH3:14]

참가 물질

9

반응물 6

HCID 313Hydrochloric AcidHCID 8027PyrroleHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 312751,4-DioxaneHCID 22359409Tert-butyloxycarbonylimidazoleHCID 597990864-[(4-tert-Butoxycarbonylamino-1-methyl-1H-imidazole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester

생성물 1

HCID 688766714-({4-[(4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carbonyl}-amino)-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester수율 32%

시약·촉매·용매 2

HCID 142844-(Dimethylamino)pyridine촉매HCID 6228Dimethylformamide용매

실험 절차

The Boc imidazole dimer (39) (0.253 g, 0.65 mmol) was deprotected using 4M HCl in dioxane as described in general procedure C. The resulting residue (39′) was dissolved in dry DMF (5 mL) and the Boc protected pyrrole acid (2) (0.156 g, 0.65 mmol) was added. The resulting solution was treated with EDCI (1.5 equiv.) and DMAP (2 equiv.) and reacted as described in general procedure A. This yielded a brown foam 0.109 g (32%). LCMS (method 2) rt=1.87 min; m/z (ES+) 515 (M+1).

후처리

  1. additionwas added
  2. customreacted

출처 및 근거

ORD 기록
ord-864bdf0671364083a41efb50b0de7fee
출처 데이터셋
uspto-grants-2014_01
특허 번호
US08637664B2

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