Methyl acetoacetate → HCID 58999136, compound

HRID 2105801Notes

Reaction equation

C[O:2][C:3](=O)[CH2:4][C:5](=O)[CH3:6].Br[CH2:10][C:11]([C:13]1[CH:18]=[CH:17][C:16]([O:19][C:20]([F:23])([F:22])[F:21])=[CH:15][CH:14]=1)=O.[CH:24]1([CH2:27][NH2:28])[CH2:26][CH2:25]1.[N:29]1([NH2:35])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1>>[N:29]1([NH:35][C:3]([C:4]2[CH:10]=[C:11]([C:13]3[CH:18]=[CH:17][C:16]([O:19][C:20]([F:23])([F:22])[F:21])=[CH:15][CH:14]=3)[N:28]([CH2:27][CH:24]3[CH2:26][CH2:25]3)[C:5]=2[CH3:6])=[O:2])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1

Participants

Reactant 4

HCID 7757Methyl acetoacetate

HCID 166581-Aminopiperidine

HCID 75646Cyclopropanemethanamine

HCID 27786912-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one

Product 1

HCID 58999136HCID 58999136, compound

Procedure

The title compound was synthesized in analogy to Example 68, using 3-oxo-butyric acid methyl ester as compound of formula R, 2-bromo-1-(4-trifluoromethoxy-phenyl)-ethanone as compound of formula S, cyclopropanemethylamine as R3-(CH2)m-NH2 and 1-piperidinamine as R1R2NH, MS (ISP) 422.3 (M+H)+.

Sources & evidence

ORD record: ord-55882b0a9891492da20da3493773af70
Source dataset: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07579369B2

Reaction notes

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