Methyl Carbamate → (1-{2-[5-(6-{2-[2-(2-Methoxycarbonylamino-3-methyl-butyryl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-benzoimidazol-5-ylethynyl}-naphthalen-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HRID 71932

반응식

HRID 71932 반응식
COC(=O)N.[CH3:6][O:7][C:8](=[O:35])[NH:9][CH:10]([C:14]([N:16]1[CH2:20][CH2:19][CH2:18][CH:17]1[C:21]1[NH:22][C:23]([C:26]#[C:27][C:28]2[CH:33]=CC(Br)=CC=2)=[CH:24][N:25]=1)=[O:15])[CH:11]([CH3:13])[CH3:12].[CH3:36][O:37][C:38](=[O:68])[NH:39][CH:40]([C:44]([N:46]1[CH2:50][CH2:49][CH2:48][CH:47]1[C:51]1[NH:52][C:53]([C:56]2[CH:65]=[CH:64][C:63]3[C:58](=[CH:59][CH:60]=[C:61]([C:66]#[CH:67])[CH:62]=3)[CH:57]=2)=[CH:54][N:55]=1)=[O:45])[CH:41]([CH3:43])[CH3:42].COC(=O)N[CH:73](C(N1CCCC1C1NC(C#C)=CN=1)=O)[CH:74](C)C>>[CH3:36][O:37][C:38](=[O:68])[NH:39][CH:40]([C:44]([N:46]1[CH2:50][CH2:49][CH2:48][CH:47]1[C:51]1[NH:52][C:53]([C:56]2[CH:65]=[CH:64][C:63]3[C:58](=[CH:59][CH:60]=[C:61]([C:66]#[C:67][C:27]4[CH:28]=[CH:33][C:24]5[N:25]=[C:21]([CH:17]6[CH:18]7[CH2:19][CH:20]([CH2:73][CH2:74]7)[N:16]6[C:14](=[O:15])[CH:10]([NH:9][C:8]([O:7][CH3:6])=[O:35])[CH:11]([CH3:13])[CH3:12])[NH:22][C:23]=5[CH:26]=4)[CH:62]=3)[CH:57]=2)=[CH:54][N:55]=1)=[O:45])[CH:41]([CH3:43])[CH3:42]

참가 물질

5

반응물 4

HCID 11722Methyl CarbamateHCID 66620637(1-{2-[5-(4-bromo-phenylethynyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl esterHCID 72338249(1-{2-[5-(6-Ethynyl-naphthalen-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl esterHCID 76818854{1-[2-(5-Ethynyl-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester

생성물 1

HCID 66620416(1-{2-[5-(6-{2-[2-(2-Methoxycarbonylamino-3-methyl-butyryl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-benzoimidazol-5-ylethynyl}-naphthalen-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

실험 절차

Title compound was prepared according to the method employed to prepare Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-ylethynyl}-phenylethynyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester (Example CT), substituting {1-[3-(6-Bromo-1H-benzoimidazol-2-yl)-2-aza-bicyclo[2.2.1]heptane-2-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester for (1-{2-[5-(4-bromo-phenylethynyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester and (1-{2-[5-(6-Ethynyl-naphthalen-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester for {1-[2-(5-Ethynyl-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester. NMR (MeOH-d4, 400 MHz) δ: 8.19-8.11 (m, 1H), 8.01-7.99 (m, 1H), 7.86-7.71 (m, 3H), 7.57-7.39 (m, 3H), 7.02-6.99 (m, 1H); MS (ESI) m/z 813 [M+H]+.

출처 및 근거

ORD 기록
ord-4a680ecf9cef4794a8d291577e69cc8e
출처 데이터셋
uspto-grants-2014_09
특허 번호
US08822430B2

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