Phenyl isocyanate → HCID 67496122, compound

HRID 1920557Notes

Reaction equation

[F:1][C:2]([F:7])([F:6])[C:3]([O-:5])=[O:4].[OH:8][C:9]([C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[C:10]([O:12][C@@H:13]1[CH:18]2[CH2:19][CH2:20][N+:15]([CH2:21][CH2:22][NH:23]S(C3C=CC(C)=CC=3)(=O)=O)([CH2:16][CH2:17]2)[CH2:14]1)=[O:11].[C:46]1([N:52]=[C:53]=[O:54])[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1>>[F:1][C:2]([F:7])([F:6])[C:3]([O-:5])=[O:4].[OH:8][C:9]([C:34]1[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1)([C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)[C:10]([O:12][C@@H:13]1[CH:18]2[CH2:17][CH2:16][N+:15]([CH2:21][CH2:22][NH:23][C:53]([NH:52][C:46]3[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=3)=[O:54])([CH2:20][CH2:19]2)[CH2:14]1)=[O:11]

Participants

Reactant 2

HCID 7672Phenyl isocyanate

HCID 67496002HCID 67496002, compound

Product 1

HCID 67496122HCID 67496122, compound

Procedure

This compound is made analogously to (R)-3-(2-hydroxy-2,2-diphenyl-acetoxy)-1-[2-(toluene-4-sulfonylamino)-ethyl]-1-azonia-bicyclo[2.2.2]octane trifluoroacetate (Example 49) by replacing p-toluenesulfonyl chloride with phenyl isocyanate.

Sources & evidence

ORD record: ord-ee64d7755a234982bc8f3605b9f535fd
Source dataset: uspto-grants-2012_05
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08168654B2

Reaction notes

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