Potassium Bromide → HCID 69518987, compound

HRID 1179962Notes

Reaction equation

HRID 1179962 reaction equation
Cl[C:2]([O:4][C:5]1[CH:10]=[CH:9][C:8]([O:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][N:13]=2)=[CH:7][CH:6]=1)=[O:3].[Cl:22][C:23]1[S:27][C:26]([CH2:28][N:29]2[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]2)=[CH:25][CH:24]=1.[K+].[Br-]>CCO>[F:19][C:18]([F:21])([F:20])[C:15]1[CH:16]=[CH:17][C:12]([O:11][C:8]2[CH:9]=[CH:10][C:5]([O:4][C:2]([N:32]3[CH2:33][CH2:34][N:29]([CH2:28][C:26]4[S:27][C:23]([Cl:22])=[CH:24][CH:25]=4)[CH2:30][CH2:31]3)=[O:3])=[CH:6][CH:7]=2)=[N:13][CH:14]=1

Participants

5

Reactant 3

HCID 253877Potassium BromideHCID 24550121-[(5-Chloro-2-thienyl)methyl]piperazineHCID 220477624-(5-Trifluoromethylpyridin-2-yloxy)-phenyl chloroformate

Product 1

HCID 69518987HCID 69518987, compound

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent

Procedure

The hydrochloride of the title compound was prepared from 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl chloroformate and 1-(5-chloro-thiophen-2-ylmethyl)-piperazine, yield 48%. White crystals, m.p. 225-226° C. (from EtOH); 1H NMR (DMSO-d6): δ 12.00 (br, 1H), 8.60-8.55 (1H), 8.27-8.21 (dd-like, 1H), 7.33-7.20 (m, 6H), 7.20-7.15 (d, 1H), 4.55 (br s, 2H), 4.40-4.00 (br, 2H), 3.74-3.27 (br, 4H+H2O); 3.27-2.97 (br, 2H); IR (KBr): ν 1723 (C═O) cm1.

Sources & evidence

ORD record
ord-d2f36d9a5b89441b9ebb798b870fd85d
Source dataset
uspto-grants-2007_10
Patent number
US07279470B2

Reaction notes

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