Ethyl 4-cyanobenzoate → HCID 178468924, compound

HRID 1685711Notes

Reaction equation

HRID 1685711 reaction equation
O[C:2]1[C:11](C)=[CH:10][C:5]([C:6]([NH:8][OH:9])=[NH:7])=[CH:4][C:3]=1C.C(C1C=CC([C:20]([O:22][CH2:23][CH3:24])=[O:21])=CC=1)#N>>[CH2:23]([O:22][C:20](=[O:21])[C:2]1[CH:3]=[CH:4][C:5]([C:6](=[NH:7])[NH:8][OH:9])=[CH:10][CH:11]=1)[CH3:24]

Participants

3

Reactant 2

HCID 81589Ethyl 4-cyanobenzoateHCID 178426654HCID 178426654, compound

Product 1

HCID 178468924HCID 178468924, compound

Procedure

The title compound is prepared in analogy to 4,N-dihydroxy-3,5-dimethyl-benzamidine starting from ethyl 4-cyanobenzoate; LC-MS: tR=0.55 min, [M+1]+=209.05; 1H NMR (D6-DMSO): δ 1.33 (t, J=7.0 Hz, 3H), 4.32 (q, J=7.0 Hz, 2H), 5.94 (s, 2H), 7.83 (d, J=8.0 Hz, 2H), 7.95 (d, J=7.8 Hz, 2H), 9.91 (s, 1H).

Sources & evidence

ORD record
ord-529c0deaba624c1bad72c474aa695bd1
Source dataset
uspto-grants-2012_04
Patent number
US08148410B2

Reaction notes

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