Ethyl benzoylacetate → HCID 66746800, compound

HRID 2047714Notes

Reaction equation

HRID 2047714 reaction equation
[NH2:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[C:4]#[N:5].O=[C:11]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14]>>[CH2:16]([O:15][C:13]([C:12]1[C:11]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[N:1][C:2]2[C:3]([C:4]=1[NH2:5])=[CH:6][CH:7]=[CH:8][CH:9]=2)=[O:14])[CH3:17]

Participants

3

Reactant 2

HCID 7170Ethyl benzoylacetateHCID 729132-Aminobenzonitrile

Product 1

HCID 66746800HCID 66746800, compound

Procedure

Prepared as in Example 2a from 2-aminobenzonitrile and ethyl 3-oxo-3-phenylpropanoate as a yellow solid (45%). 1H NMR (400 MHz, DMSO-d6) δ 0.72 (t, J=8.0 Hz, 3H), 3.92 (q, J=8.0 Hz, 2H), 7.44 (m, 5H), 7.50 (m, 1H), 7.61 (bs, 2H), 7.73 (m, 1H), 7.83 (d, J=8.0 Hz, 1H), 8.37 (d, J=8.0 Hz, 1H). MS 293 (MH+).

Sources & evidence

ORD record
ord-d6c3efd7ded0460280568602a49cbe8d
Source dataset
uspto-grants-2013_11
Patent number
US08592592B2

Reaction notes

Loading…