(2E)-3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)PROPENOICACID → HCID 57344217, compound

HRID 1410533Notes

Reaction equation

HRID 1410533 reaction equation
Cl.Cl.[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([CH:12]2[CH2:17][CH2:16][CH:15]([NH:18][CH:19]([CH:23]3[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]3)[C:20]([NH2:22])=[O:21])[CH2:14][CH2:13]2)=[CH:4]1.[F:29][C:30]1([F:44])[O:34][C:33]2[CH:35]=[CH:36][C:37](/[CH:39]=[CH:40]/[C:41](O)=[O:42])=[CH:38][C:32]=2[O:31]1>>[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([CH:12]2[CH2:17][CH2:16][CH:15]([NH:18][CH:19]([CH:23]3[CH2:24][CH2:25][N:26]([C:41](=[O:42])/[CH:40]=[CH:39]/[C:37]4[CH:36]=[CH:35][C:33]5[O:34][C:30]([F:44])([F:29])[O:31][C:32]=5[CH:38]=4)[CH2:27][CH2:28]3)[C:20]([NH2:22])=[O:21])[CH2:14][CH2:13]2)=[CH:4]1

Participants

3

Reactant 2

HCID 5708417(2E)-3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)PROPENOICACIDHCID 677751942-[4-(1H-Indol-3-yl)-cyclohexylamino]-2-piperidin-4-yl-acetamide dihydrochloride

Product 1

HCID 57344217HCID 57344217, compound

Procedure

The title compound was prepared from the product of Example 1, step J, and trans-3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid, by the method of Example 1, step K, giving a solid that was mostly the more polar cyclohexyl diastereomer by LCMS. Mass spectrum (LCMS, ESI pos.) calcd. for C31H34F2N4O4: 565 (M+H). Found: 565

Workup

  1. customgiving a solid

Sources & evidence

ORD record
ord-2413bf0a5b264e7595d0e1e10068bf8f
Source dataset
uspto-grants-2014_12
Patent number
US08921559B2

Reaction notes

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