Urea → HCID 57424697, compound

HRID 1093279Notes

Reaction equation

HRID 1093279 reaction equation
NC(N)=O.[CH:5]12[O:12][CH:9](CC1)[CH2:8][N:7]([C:13]1[N:18]=[C:17]([C:19]3[CH:24]=[CH:23][C:22]([NH:25][C:26]([NH:28][CH2:29][CH3:30])=[O:27])=[CH:21][CH:20]=3)[N:16]=[C:15]3[N:31]([CH:34]4CCN(C(OCC)=O)C[CH2:35]4)[N:32]=[CH:33][C:14]=13)[CH2:6]2.[N:45]1([CH2:50][CH2:51][O:52][C:53]2[CH:59]=CC(N)=[CH:55][CH:54]=2)[CH2:49][CH2:48][CH2:47][CH2:46]1.N[C:61]1C=CC=C[CH:62]=1>>[CH:8]12[N:7]([C:13]3[N:18]=[C:17]([C:19]4[CH:20]=[CH:21][C:22]([NH:25][C:26]([NH:28][C:29]5[CH:30]=[CH:59][C:53]([O:52][CH2:51][CH2:50][N:45]6[CH2:49][CH2:48][CH2:47][CH2:46]6)=[CH:54][CH:55]=5)=[O:27])=[CH:23][CH:24]=4)[N:16]=[C:15]4[N:31]([CH2:34][CH3:35])[N:32]=[CH:33][C:14]=34)[CH:6]([CH2:61][CH2:62]1)[CH2:5][O:12][CH2:9]2

Participants

5

Reactant 4

HCID 1176UreaHCID 6115AnilineHCID 64937494-(2-(Pyrrolidin-1-yl)ethoxy)anilineHCID 25262323ethyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-ethylureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

Product 1

HCID 57424697HCID 57424697, compound

Procedure

A urea formation procedure similar to that used for the synthesis of ethyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-ethylureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate is used, utilizing 4-(2-(pyrrolidin-1-yl)ethoxy)aniline as the aniline component. (50%, MS=583.5 (M+H))

Sources & evidence

ORD record
ord-06bd87d896a940eaa45a5ac8587d83c0
Source dataset
uspto-grants-2012_03
Patent number
US08129371B2

Reaction notes

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