Methyl acetoacetate → HCID 58999126, compound

HRID 2105784Notes

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]=[C:17]([O:19][CH3:20])[CH:16]=[CH:15][C:14]=1[O:21][CH3:22])=O.[F:23][C:24]1[CH:25]=[C:26]([CH:30]=[CH:31][CH:32]=1)[CH2:27][CH2:28][NH2:29].[N:33]1([NH2:39])[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]1>>[N:33]1([NH:39][C:3]([C:4]2[CH:10]=[C:11]([C:13]3[CH:18]=[C:17]([O:19][CH3:20])[CH:16]=[CH:15][C:14]=3[O:21][CH3:22])[N:29]([CH2:28][CH2:27][C:26]3[CH:30]=[CH:31][CH:32]=[C:24]([F:23])[CH:25]=3)[C:5]=2[CH3:6])=[O:2])[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]1

Participants

Reactant 4

HCID 7757Methyl acetoacetate

HCID 166581-Aminopiperidine

HCID 709972-Bromo-2',5'-dimethoxyacetophenone

HCID 5339282-(3-Fluorophenyl)ethanamine

Product 1

HCID 58999126HCID 58999126, 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-(2,5-dimethoxy-phenyl)-ethanone a s compound of formula S, 3-fluoro-phenethylamine as R3—(CH2)m—NH2 and 1-piperidinamine as R1R2NH, MS (ISP) 466.3 (M+H)+.

Sources & evidence

ORD record: ord-9db5b7880c3f48239e9352ad55a5a3d8
Source dataset: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07579369B2

Reaction notes

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