2-Isobutoxy-5-methanesulfonyl-benzoic acid → HCID 11657003, compound

HRID 1352314Notes

Reaction equation

HRID 1352314 reaction equation
[CH2:1]([O:5][C:6]1[CH:14]=[CH:13][C:12]([S:15]([CH3:18])(=[O:17])=[O:16])=[CH:11][C:7]=1[C:8]([OH:10])=O)[CH:2]([CH3:4])[CH3:3].Cl.[C:20]1([S:26]([C:29]2[S:33][C:32]([N:34]3[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]3)=[N:31][CH:30]=2)(=[O:28])=[O:27])[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>>[C:20]1([S:26]([C:29]2[S:33][C:32]([N:34]3[CH2:39][CH2:38][N:37]([C:8]([C:7]4[CH:11]=[C:12]([S:15]([CH3:18])(=[O:17])=[O:16])[CH:13]=[CH:14][C:6]=4[O:5][CH2:1][CH:2]([CH3:3])[CH3:4])=[O:10])[CH2:36][CH2:35]3)=[N:31][CH:30]=2)(=[O:28])=[O:27])[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1

Participants

3

Reactant 2

HCID 235031102-Isobutoxy-5-methanesulfonyl-benzoic acidHCID 67549227HCID 67549227, compound

Product 1

HCID 11657003HCID 11657003, compoundYield 45%

Procedure

Prepared in analogy to example 1 (b) from 2-isobutoxy-5-methanesulfonyl-benzoic acid (Example A8) and 1-(5-benzenesulfonyl-thiazol-2-yl)-piperazine hydrochloride (Example 4(d)). The crude material was purified by chromatography (SiO2, ethyl acetate/heptane) followed by trituration in ether to yield the title compound as an off-white crystalline solid (yield 45%). MS (m/e): 564.3 (M+H+, 100%), 581.3 (M+NH4+, 94%).

Workup

  1. customThe crude material was purified by chromatography (SiO2, ethyl acetate/heptane)

Sources & evidence

ORD record
ord-b27fcf28c285410b9d0bcafe1912d686
Source dataset
uspto-grants-2007_05
Patent number
US07220744B2

Reaction notes

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