Ethyl Acetoacetate → HCID 66746811, compound

HRID 2047794Notes

Reaction equation

C([O:4][CH2:5][C:6]1([CH2:12][O:13][C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([NH2:20])[C:15]=2[C:21]#[N:22])[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7]1)(=O)C.O=[C:24]([CH3:31])[CH2:25][C:26]([O:28][CH2:29][CH3:30])=[O:27]>>[CH2:29]([O:28][C:26]([C:25]1[C:24]([CH3:31])=[N:20][C:16]2[C:15]([C:21]=1[NH2:22])=[C:14]([O:13][CH2:12][C:6]1([CH2:5][OH:4])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1)[CH:19]=[CH:18][CH:17]=2)=[O:27])[CH3:30]

Participants

Reactant 2

HCID 8868Ethyl Acetoacetate

HCID 66746462HCID 66746462, compound

Product 1

HCID 66746811HCID 66746811, compound

Procedure

Prepared as in Example 2a from (1-((3-amino-2-cyanophenoxy)methyl)cyclohexyl)-methyl acetate (Tachdjian, C. et al. PCT Inn. Appl. 2008, WO 2008154221) and ethyl 3-oxobutanoate as an off-white solid (60%). MS 373 (MH+).

Sources & evidence

ORD record: ord-b84c27964b934132b20520432e38623b
Source dataset: uspto-grants-2013_11
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08592592B2

Reaction notes

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