(S)-Methyl 4-(1-aminoethyl)benzoate hydrochloride → HCID 69418250, compound

HRID 1293297Notes

Reaction equation

HRID 1293297 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[C:31]([F:32])=[CH:30][CH:29]=[CH:28][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[C:31]([F:32])=[CH:30][CH:29]=[CH:28][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 69415917HCID 69415917, compound

Product 1

HCID 69418250HCID 69418250, 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-(2,6-difluorophenoxy)benzoic acid (step 4): 1H-NMR (CDCl3) δ 8.16 (1H, d, J=2.8 Hz), 8.00 (2H, d, J=8.4 Hz), 7.83–7.74 (1H, m), 7.45 (2H, d, J=8.4 Hz), 7.35–7.23 (2H, m), 7.16–7.04 (2H, m), 6.67–6.61 (1H, m), 5.48–5.33 (1H, m), 3.90 (3H, s), 1.59 (3H, d, J=7.0 Hz)); MS (ESI) m/z 446 (M+H)+.

Sources & evidence

ORD record
ord-6384752edfd2429580d9f0dc90d0f5cd
Source dataset
uspto-grants-2007_07
Patent number
US07238714B2

Reaction notes

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