Methyl 4-(aminomethyl)benzoate hydrochloride → HCID 18185345, compound

HRID 1358776Notes

Reaction equation

HRID 1358776 reaction equation
[CH3:1][C:2]1[N:3]([CH2:19][C:20](O)=[O:21])[C:4]2[C:9]([CH:10]=1)=[CH:8][C:7]([NH:11][S:12]([C:15]([F:18])([F:17])[F:16])(=[O:14])=[O:13])=[CH:6][CH:5]=2.Cl.C[O:25][C:26](=[O:35])[C:27]1[CH:32]=[CH:31][C:30]([CH2:33][NH2:34])=[CH:29][CH:28]=1>>[CH3:1][C:2]1[N:3]([CH2:19][C:20]([NH:34][CH2:33][C:30]2[CH:31]=[CH:32][C:27]([C:26]([OH:25])=[O:35])=[CH:28][CH:29]=2)=[O:21])[C:4]2[C:9]([CH:10]=1)=[CH:8][C:7]([NH:11][S:12]([C:15]([F:18])([F:16])[F:17])(=[O:14])=[O:13])=[CH:6][CH:5]=2

Participants

3

Reactant 2

HCID 2729253Methyl 4-(aminomethyl)benzoate hydrochlorideHCID 18185310HCID 18185310, compound

Product 1

HCID 18185345HCID 18185345, compound

Procedure

Same procedure as Example 82 except (2-Methyl-5-trifluoromethanesulfonylamino-indol-1-yl)-acetic acid and methyl-4-(aminomethyl)benzoate hydrochloride was used. 1H-NMR (400 MHz, DMSO-d6) δ 12. 84 (s, 1H, COOH), 11.45 (s, 1H, SNH), 8.75 (t, J=6.4 Hz, 1H, NHCO), 7.89 (d, J=8.6 Hz, 2H, ArH), 7.3 (m, 4H, ArH, H-7, & H-4), 6.93 9dd, J=2, 8.5 Hz, 1H, H-6), 6.27 (s, 1H, H-3), 4.86 (s, 2H, CH2N-2), 4.37 (d, J=6.6 Hz, 2H, NCH2Ar), 2.35 (s, 3H, CH3), MS m/z 468 (M−H).

Sources & evidence

ORD record
ord-e9fbc9c00f3a45d0b442f616ae47409c
Source dataset
uspto-grants-2003_07
Patent number
US06596772B1

Reaction notes

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