Ethyl Acetoacetate → HCID 5164703, compound

HRID 1466976Notes

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]([CH3:18])[CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14]>>[NH2:5][C:4]1[C:3]2[C:2](=[CH:9][CH:8]=[CH:7][CH:6]=2)[N:1]=[C:11]([CH3:18])[C:12]=1[C:13]([O:15][CH2:16][CH3:17])=[O:14]

Participants

Reactant 2

HCID 8868Ethyl Acetoacetate

HCID 729132-Aminobenzonitrile

Product 1

HCID 5164703HCID 5164703, compound

Procedure

Prepared as in Example 2a from 2-aminobenzonitrile and ethyl 3-oxobutanoate as a yellow solid (32%). 1H NMR (400 MHz, DMSO-d6) δ 1.33 (t, J=8.0 Hz, 3H), 2.61 (s, 3H), 4.34 (q, J=8.0 Hz, 2H), 7.41 (m, 1H), 7.66 (m, 2H), 7.74 (bs, 2H), 8.27 (d, J=8.0 Hz, 1H). MS 231 (MH+).

Sources & evidence

ORD record: ord-6bb418e960384fc08b5f3e15137645fd
Source dataset: uspto-grants-2015_04
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09000054B2

Reaction notes

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