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Benzene → 2-Nitroxymethylpyridine nitrate

HRID 65204
Notes
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Reaction equation

HRID 65204 reaction equation
[N+:1]([O-:4])([OH:3])=[O:2].C(OC(=O)C)(=O)C.[N+:12]([O-:15])([OH:14])=[O:13].O[CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=1.C1C=CC=CC=1>CCCCCC>[N+:1]([O-:4])([OH:3])=[O:2].[O:13]([CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=1)[N+:12]([O-:15])=[O:14]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 241BenzeneHCID 944Nitric AcidHCID 7918Acetic AnhydrideHCID 70400506HCID 70400506, compound

Product 1

HCID 867402952-Nitroxymethylpyridine nitrate

Reagents, catalysts & solvents 1

HCID 8058HexaneSolvent

Procedure

Fuming nitric acid (4.1 ml) was added dropwise to acetic anhydride (13.5 ml) with stirring at 5° to 10° C. After the mixture was stirred for 30 minutes at 5° C., 2-hydroxymethylpyridine nitrate (3.3 g) was added in some portions thereto. The resulting mixture was stirred for 3 hours at 0° to 5° C. A mixture of benzene (15 ml) and n-hexane (30 ml) was added thereto. The mixture formed two layers. The upper layer was separated and discarded while the remaining lower layer was again treated with a mixture of benzene (10 ml) and n-hexane (10 ml). After the separation of the layers, the lower layer was again separated, mixed with benzene (10 ml) and made homogeneous with isopropyl alcohol (10 ml). The resulting mixture was allowed to stand overnight in a refrigerator to give crystals. The crystals were collected by filtration and washed with diethyl ether to give white crystals of 2-nitroxymethylpyridine nitrate (2.4 g), mp. 75° to 77° C.

Workup

  1. stirringAfter the mixture was stirred for 30 minutes at 5° C.
  2. stirringThe resulting mixture was stirred for 3 hours at 0° to 5° C
  3. additionwas added
  4. customThe mixture formed two layers
  5. customThe upper layer was separated
  6. additionwas again treated with a mixture of benzene (10 ml) and n-hexane (10 ml)
  7. customAfter the separation of the layers
  8. customthe lower layer was again separated
  9. additionmixed with benzene (10 ml)
  10. customto give crystals
  11. filtrationThe crystals were collected by filtration
  12. washwashed with diethyl ether

Sources & evidence

ORD record
ord-a96a1a5f8e014a1883c990e494b0239f
Source dataset
uspto-grants-1986_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US04613608

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes