(S)-Methyl 4-(1-aminoethyl)benzoate hydrochloride → HCID 69418987, compound

HRID 1293284Notes

Reaction equation

HRID 1293284 reaction equation
Cl.[NH2:2][C@H:3]([C:5]1[CH:14]=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][CH:6]=1)[CH3:4].[Cl:15][C:16]1[CH:17]=[CH:18][C:19]([O:25][C:26]2[CH:31]=[CH:30][CH:29]=[C:28]([F:32])[C:27]=2[F:33])=[C:20]([CH:24]=1)[C:21](O)=[O:22]>>[Cl:15][C:16]1[CH:17]=[CH:18][C:19]([O:25][C:26]2[CH:31]=[CH:30][CH:29]=[C:28]([F:32])[C:27]=2[F:33])=[C:20]([CH:24]=1)[C:21]([NH:2][C@H:3]([C:5]1[CH:14]=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][CH:6]=1)[CH3:4])=[O:22]

Participants

3

Reactant 2

HCID 57462942(S)-Methyl 4-(1-aminoethyl)benzoate hydrochlorideHCID 63038493HCID 63038493, compound

Product 1

HCID 69418987HCID 69418987, compound

Procedure

The title compound was prepared according to the procedure described in step 3 of Example 1 from methyl 4-[(1S)-1-aminoethyl]benzoate hydrochloride (step 3 of Example 5) and 5-chloro-2-(2,3-difluorophenoxy)benzoic acid (step 2): 1H-NMR (CDCl3) δ 8.15 (1H, d, J=2.6 Hz), 7.96 (2H, d, J=8.4 Hz), 7.62 (1H, d, J=7.4 Hz), 7.44–7.31 (3H, m), 7.14–7.00 (2H, m), 6.85 (1H, d, J=8.7 Hz), 6.81–6.68 (1H, m), 5.33 (1H, dq, J=7.4, 7.1 Hz), 3.90 (3H, s), 1.51 (3H, d, J=7.1 Hz); MS (ESI) m/z 446 (M+H)+, 444 (M−H)−.

Sources & evidence

ORD record
ord-0bfae35391164a41b52a4efbb0115bf5
Source dataset
uspto-grants-2007_07
Patent number
US07238714B2

Reaction notes

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