HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Hexane → HCID 10584093, compound

HRID 1019984
Notes
Print preview

Reaction equation

HRID 1019984 reaction equation
S(Cl)(Cl)=O.[CH3:5][O:6][C:7]1[C:8]([N+:18]([O-:20])=[O:19])=[C:9]([CH:13]=[CH:14][C:15]=1[O:16][CH3:17])C(O)=O.[N-:21]=[N+]=[N-].[Na+].CCCCCC>ClCCCl.O.C(OCC)(=O)C>[CH3:5][O:6][C:7]1[C:8]([N+:18]([O-:20])=[O:19])=[C:9]([NH2:21])[CH:13]=[CH:14][C:15]=1[O:16][CH3:17]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 4

HCID 8058HexaneHCID 24386Thionyl ChlorideHCID 33557Sodium AzideHCID 12522693,4-Dimethoxy-2-nitrobenzoic acid

Product 1

HCID 10584093HCID 10584093, compoundYield 64%

Reagents, catalysts & solvents 3

HCID 11
1,2-Dichloroethane
Solvent
HCID 962WaterSolvent2×
HCID 8857Ethyl AcetateSolvent

Conditions

Temperature
82 °C

Procedure

Thionyl chloride (10 mL, 137.4 mmol, 4.98 eq) is added at room temperature to a stirred solution of 3,4-dimethoxy-2-nitro-benzoic acid (6.26 g, 27.6 mmol, 1.0 eq) in 1,2-dichloroethane (100 mL). The reaction mixture is heated at 82° C. for 2 hours, then solvent is removed and the resulting crude acid chloride is dissolved in acetone (50 mL), cooled down to 5° C. before the addition of a solution of sodium azide (10.0 g, 154.0 mmol, 5.58 eq) in water (20 mL). After 1 hour stirring, the reaction mixture is poured into water (300 ml), the resulting white precipitate of acyl azide is filtered, washed with water, dissolved in acetic acid (300 mL) and water (30 mL). The mixture is heated at 118° C. for 2 hours, then solvents are evaporated, the residue is taken in warm ethanol and filtered. The filtrate is concentrated and the residue is purified by column chromatography (silica gel, eluent: hexane:ethyl acetate, 10:1 to 5:1, v/v) to afford 3,4-dimethoxy-2-nitro-phenylamine as a red solid (3.5 g, 64% yield).

Workup

  1. customsolvent is removed
  2. dissolutionthe resulting crude acid chloride is dissolved in acetone (50 mL)
  3. filtrationthe resulting white precipitate of acyl azide is filtered
  4. washwashed with water
  5. dissolutiondissolved in acetic acid (300 mL)
  6. temperatureThe mixture is heated at 118° C. for 2 hours
  7. customsolvents are evaporated
  8. filtrationfiltered
  9. concentrationThe filtrate is concentrated
  10. customthe residue is purified by column chromatography (silica gel, eluent

Sources & evidence

ORD record
ord-4edbbf285dc84b7cb11424c1977e47fb
Source dataset
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08716280B2

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes