Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester → HCID 68458106, compound

HRID 2358612Notes

Reaction equation

[CH2:1]([O:3][C:4](=[O:15])[C:5]1[CH:10]=[CH:9][C:8](O)=[C:7]([N+:12]([O-:14])=[O:13])[CH:6]=1)[CH3:2].[C:16]1([S-:22])[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.[Na+]>>[CH2:1]([O:3][C:4](=[O:15])[C:5]1[CH:10]=[CH:9][C:8]([S:22][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[C:7]([N+:12]([O-:14])=[O:13])[CH:6]=1)[CH3:2]

Participants

Reactant 2

HCID 87895Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester

HCID 4110039Sodium benzenethiolate

Product 1

HCID 68458106HCID 68458106, compoundYield 67%

Procedure

The product from Example 53a (22.6 g, 67.6 mmol) was reacted with sodium thiophenolate (7.54 g, 67.6 mmol) for 24 h following the procedure from Example 1e giving the title compound as a solid (13.2 g, 67%).

Sources & evidence

ORD record: ord-d7edcc6076a94f90b1d0a58ce35e551d
Source dataset: uspto-grants-2010_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07763731B2

Reaction notes

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