Acetic Acid → HCID 86602083, compound

HRID 724720Notes

Reaction equation

HRID 724720 reaction equation
F[C:2](F)(F)[C:3]([OH:5])=[O:4].[NH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[NH:15][C:16](=O)[C@@H:17]([NH:34][C:35](=[O:44])[O:36][CH2:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1)[CH2:18][C:19]1[CH:24]=[CH:23][C:22]([CH:25]2[S:29](=[O:31])(=[O:30])[NH:28][C:27](=[O:32])[CH2:26]2)=[C:21]([CH3:33])[CH:20]=1.C(O)(=O)C>>[C:3]([OH:5])(=[O:4])[CH3:2].[NH:15]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[N:8]=[C:16]1[C@@H:17]([NH:34][C:35](=[O:44])[O:36][CH2:37][C:38]1[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=1)[CH2:18][C:19]1[CH:24]=[CH:23][C:22]([CH:25]2[S:29](=[O:30])(=[O:31])[NH:28][C:27](=[O:32])[CH2:26]2)=[C:21]([CH3:33])[CH:20]=1

Participants

3

Reactant 2

HCID 176Acetic AcidHCID 11534744HCID 11534744, compound

Product 1

HCID 86602083HCID 86602083, compound

Procedure

A solution of benzyl (1S)-2-[(2-aminophenyl)amino]-1-[4-(1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-methylbenzyl]-2-oxoethylcarbamate trifluoroacetate (1.20 g, 1.84 mmol) and acetic acid (40.0 mL, 704 mmol) was stirred at 40° C. for 2 h. The solvent was removed in vacuo. The crude product was used in the next step without purification. MF=C27H26N4O5S; LCMS found for C27H27N4O5S (M+H)+: m/z=519.

Workup

  1. customThe solvent was removed in vacuo
  2. customThe crude product was used in the next step without purification

Sources & evidence

ORD record
ord-685a5a48e2704530ac41c1c663a2c6aa
Source dataset
uspto-grants-2006_11
Patent number
US07141596B2

Reaction notes

Loading…