Methyl 4-(aminomethyl)benzoate hydrochloride → HCID 69047327, compound

HRID 1293202Notes

Reaction equation

HRID 1293202 reaction equation
[C:1]([C:3]1[CH:4]=[N:5][C:6]([O:12][C:13]2[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=2)=[C:7]([CH:11]=1)[C:8]([OH:10])=O)#[N:2].Cl.[NH2:21][CH2:22][C:23]1[CH:32]=[CH:31][C:26]([C:27]([O:29][CH3:30])=[O:28])=[CH:25][CH:24]=1>>[C:1]([C:3]1[CH:11]=[C:7]([C:8]([NH:21][CH2:22][C:23]2[CH:24]=[CH:25][C:26]([C:27]([O:29][CH3:30])=[O:28])=[CH:31][CH:32]=2)=[O:10])[C:6]([O:12][C:13]2[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=2)=[N:5][CH:4]=1)#[N:2]

Participants

3

Reactant 2

HCID 2729253Methyl 4-(aminomethyl)benzoate hydrochlorideHCID 69051329HCID 69051329, compound

Product 1

HCID 69047327HCID 69047327, compound

Procedure

The title compound was prepared according to the procedure described in step 3 of Example 1 from 5-cyano-2-(4-fluorophenoxy)nicotinic acid (step 3) and methyl 4-(aminomethyl)benzoate hydrochloride: 1H-NMR (CDCl3) δ 8.91 (1H, d, J=1.8 Hz), 8.48 (1H, d, J=1.8 Hz), 8.03 (2H, d, J=8.1 Hz), 7.43 (2H, d, J=8.1 Hz), 7.17–7.12 (4H, m), 4.78 (2H, d, J=5.4 Hz), 3.91 (3H, s); MS (ESI) m/z 406 (M+H)+, 404 (M+H)+.

Sources & evidence

ORD record
ord-e620b24a86e54bafab822087b5e666af
Source dataset
uspto-grants-2007_07
Patent number
US07238714B2

Reaction notes

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