HCID 20298956, compound → HCID 69417827, compound

HRID 1293293Notes

Reaction equation

HRID 1293293 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]([CH3:32])[CH:27]=2)=[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]([CH3:32])[CH:27]=2)=[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 20298956HCID 20298956, compoundHCID 57462942(S)-Methyl 4-(1-aminoethyl)benzoate hydrochloride

Product 1

HCID 69417827HCID 69417827, 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-(3-methylphenoxy)benzoic acid (step 2): 1H-NMR (CDCl3) δ 8.18 (1H, d, J=2.6 Hz), 8.00–7.86 (3H, m), 7.40–7.20 (4H, m), 7.07–6.98 (1H, m), 6.98–6.74 (3H, m), 5.38–5.20 (1H, m), 3.88 (3H, s), 2.33 (3H, s), 1.48 (3H, d, J=6.9 Hz); MS (ESI) m/z 424 (M+H)+, 422 (M−H)−.

Sources & evidence

ORD record
ord-01f6d9038e3c49d2a163719d1729b361
Source dataset
uspto-grants-2007_07
Patent number
US07238714B2

Reaction notes

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