Isoamyl nitrate → HCID 66995397, compound

HRID 1160822Notes

Reaction equation

HRID 1160822 reaction equation
[N+]([O-])(OCCC(C)C)=O.N[C:11]1[C:12]([C:21]2[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[C:23]([C:29]#[N:30])[CH:22]=2)=[N:13][S:14][C:15]=1[C:16]([O:18][CH2:19][CH3:20])=[O:17]>O1CCCC1>[C:29]([C:23]1[CH:22]=[C:21]([C:12]2[CH:11]=[C:15]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[S:14][N:13]=2)[CH:26]=[CH:25][C:24]=1[O:27][CH3:28])#[N:30]

Participants

4

Reactant 2

HCID 10985Isoamyl nitrateHCID 66995399HCID 66995399, compound

Product 1

HCID 66995397HCID 66995397, compound

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

3-Methylbutyl nitrate was dissolved in a tetrahydrofuran solution of ethyl 4-amino-3-(3-cyano-4-methoxyphenyl)isothiazole-5-carboxylate, followed by heating under reflux for 5 hours to obtain ethyl 3-(3-cyano-4-methoxyphenyl)isothiazole-5-carboxylate. AP: 311.

Workup

  1. temperatureby heating
  2. temperatureunder reflux for 5 hours

Sources & evidence

ORD record
ord-3baa98890aac4bd4ae46de759c35d163
Source dataset
uspto-grants-2010_10
Patent number
US07816558B2

Reaction notes

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