HCID 58746658, compound → HCID 58746945, compound

HRID 724654Notes

Reaction equation

HRID 724654 reaction equation
C([NH:5][C:6](=[O:38])[N:7]([CH2:23][C:24]1[CH:29]=[CH:28][C:27]([CH:30]2[S:34](=[O:36])(=[O:35])[NH:33][C:32](=[O:37])[CH2:31]2)=[CH:26][CH:25]=1)[CH2:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[CH:12][CH:11]=1)(C)(C)C>FC(F)(F)C(O)=O>[O:35]=[S:34]1(=[O:36])[CH:30]([C:27]2[CH:28]=[CH:29][C:24]([CH2:23][N:7]([CH2:8][CH2:9][C:10]3[CH:15]=[CH:14][C:13]([O:16][C:17]4[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=4)=[CH:12][CH:11]=3)[C:6]([NH2:5])=[O:38])=[CH:25][CH:26]=2)[CH2:31][C:32](=[O:37])[NH:33]1

Participants

3

Reactant 1

HCID 58746658HCID 58746658, compound

Product 1

HCID 58746945HCID 58746945, compoundYield 78.2%

Reagents, catalysts & solvents 1

HCID 6422Trifluoroacetic acidSolvent

Procedure

N′-(tert-butyl)-N-[4-(1,1-dioxido-3-oxoisothiazolidin-5-yl)benzyl]-N-[2-(4-phenoxyphenyl)ethyl]urea (4.5 mg, 0.008 mmol) was heated in trifluoroacetic acid (1 mL) at 100° C. for 5 min in a microwave. The mixture was concentrated and purified by preparative LCMS to give the title compound as a white solid, (3.0 mg, 75%). LCMS found for C25H26N3O5S (M+H)+: m/z=480.

Workup

  1. concentrationThe mixture was concentrated
  2. custompurified by preparative LCMS

Sources & evidence

ORD record
ord-4e9489ddf5b04dbd8b777e89f806803e
Source dataset
uspto-grants-2006_11
Patent number
US07141596B2

Reaction notes

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