Formaldehyde → HCID 90377752, compound

HRID 2176027Notes

Reaction equation

HRID 2176027 reaction equation
[CH3:1][C:2]([CH3:54])([CH2:7][CH2:8][C:9](=[O:53])[N:10]([CH:48]([CH2:51][CH3:52])[CH2:49][CH3:50])[CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18](=[O:47])[NH:19][C:20]2[S:21][C:22]3[CH2:46][CH2:45][CH2:44][CH2:43][C:23]=3[C:24]=2[C:25](=[O:42])[NH:26][C:27]2[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][CH2:35][N:36]3[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]3)=[CH:29][CH:28]=2)[CH:13]=1)[C:3]([O:5][CH3:6])=[O:4].[CH2:55]=O>>[CH3:54][C:2]([CH3:1])([CH2:7][CH2:8][C:9]([N:10]([CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18](=[O:47])[NH:19][C:20]2[S:21][C:22]3[CH2:46][CH2:45][CH2:44][CH2:43][C:23]=3[C:24]=2[C:25](=[O:42])[NH:26][C:27]2[CH:28]=[CH:29][C:30]([CH2:33][CH2:34][CH2:35][N:36]3[CH2:37][CH2:38][N:39]([CH3:55])[CH2:40][CH2:41]3)=[CH:31][CH:32]=2)[CH:13]=1)[CH:48]([CH2:51][CH3:52])[CH2:49][CH3:50])=[O:53])[C:3]([O:5][CH3:6])=[O:4]

Participants

3

Reactant 2

HCID 712FormaldehydeHCID 90370150HCID 90370150, compound

Product 1

HCID 90377752HCID 90377752, compound

Procedure

By using 180 mg of methyl 2,2-dimethyl-5-oxo-5-[pentan-3-yl(3-{[3-({4-[3-(piperazin-1-yl)propyl]phenyl}carbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzyl)amino]pentanoate and 0.06 mL of a 37% aqueous formalin solution, the reaction similar to Preparation Example 14 was performed, thereby obtaining 152 mg of methyl 2,2-dimethyl-5-[(3-{[3-({4-[3-(4-methylpiperazin-1-yl)propyl]phenyl}carbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzyl)(pentan-3-yl)amino]-5-oxopentanoate.

Workup

  1. customthe reaction
  2. customsimilar to Preparation Example 14

Sources & evidence

ORD record
ord-f2a5c62d0e624351b38d417eb3ed4036
Source dataset
uspto-grants-2015_06
Patent number
US09062032B2

Reaction notes

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