Ethyl Acetoacetate → HCID 66745695, compound

HRID 2047736Notes

Reaction equation

HRID 2047736 reaction equation
[NH2:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([O:10][CH3:11])[C:3]=1[C:4]#[N:5].O=[C:13]([CH3:20])[CH2:14][C:15]([O:17][CH2:18][CH3:19])=[O:16]>>[CH2:18]([O:17][C:15]([C:14]1[C:13]([CH3:20])=[N:1][C:2]2[C:3]([C:4]=1[NH2:5])=[C:6]([O:10][CH3:11])[CH:7]=[CH:8][CH:9]=2)=[O:16])[CH3:19]

Participants

3

Reactant 2

HCID 8868Ethyl AcetoacetateHCID 127157142-Amino-6-methoxybenzonitrile

Product 1

HCID 66745695HCID 66745695, compound

Procedure

Prepared as in Example 2a from 2-amino-6-methoxybenzonitrile and ethyl 3-oxobutanoate as a pale yellow solid. 1H NMR (400 MHz, DMSO-d6) δ 1.32 (t, J=7.2 Hz, 3H), 2.55 (s, 3H), 3.96 (s, 3H), 4.30 (q, J=7.2 Hz, 2H), 6.88 (d, J=8.4 Hz, 1H), 7.22 (d, J=7.6 Hz, 1H), 7.52 (t, J=8.0 Hz, 1H), 8.15 (s, 2H). MS 261 (MH+).

Sources & evidence

ORD record
ord-7c4d97c19db14e35b7a7301353e1ea91
Source dataset
uspto-grants-2013_11
Patent number
US08592592B2

Reaction notes

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