Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 21955503, compound

HRID 2213158Notes

Reaction equation

HRID 2213158 reaction equation
C(O[N:5]1[C:11](=[O:12])[C:10]2[CH:13]=[CH:14][CH:15]=[CH:16][C:9]=2[CH:8]([CH2:17][CH2:18][C:19]([O:21][CH3:22])=[O:20])[C:7]2[CH:23]=[CH:24][CH:25]=[CH:26][C:6]1=2)(=O)C.F[C:28](F)(F)[C:29](O)=[O:30].[NH2:34][CH2:35][C:36]1[CH:41]=[CH:40][C:39]([NH:42][C:43]([NH:45][CH2:46][C:47]2[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=2)=[O:44])=[CH:38][CH:37]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[CH2:46]([NH:45][C:43]([NH:42][C:39]1[CH:38]=[CH:37][C:36]([CH2:35][NH:34][C:29](=[O:30])[CH2:28][N:5]2[C:11](=[O:12])[C:10]3[CH:13]=[CH:14][CH:15]=[CH:16][C:9]=3[CH:8]([CH2:17][CH2:18][C:19]([O:21][CH3:22])=[O:20])[C:7]3[CH:23]=[CH:24][CH:25]=[CH:26][C:6]2=3)=[CH:41][CH:40]=1)=[O:44])[C:47]1[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=1

Participants

4

Reactant 3

HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 21955464HCID 21955464, compoundHCID 86760243N-[4-(Aminomethyl)phenyl]-N'-benzylurea (trifluoroacetate)

Product 1

HCID 21955503HCID 21955503, compound

Procedure

Coupling of 11-(3-methoxy-3-oxopropyl)-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-5-yl acetate (70) with N-(4-(aminomethyl)phenyl-N′-benzylurea (trifluoroacetate) (58) using HATU as coupling reagent afforded 140 mg; ESI-MS [M+K+]=629.2, [M+H+]: 591.25, 296.1.

Workup

  1. customafforded 140 mg

Sources & evidence

ORD record
ord-53dc8245440f4465b76362bee4a474c5
Source dataset
uspto-grants-2006_09
Patent number
US07105508B1

Reaction notes

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