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

Tetrafluoro-m-phenylenediamine dihydrochloride → HCID 15964147, compound

HRID 2418100
Notes
Print preview

Reaction equation

HRID 2418100 reaction equation
[NH2:1][C:2]1[S:3][CH:4]=[C:5]([CH2:7][S:8][CH2:9][CH2:10][NH2:11])[N:6]=1.C1(N)C(F)=C(F)C(F)=C([NH2:21])C=1F.Cl.Cl.CO[C:28]1[C:32](OC)=[N:31][S:30](=[O:35])[N:29]=1>CO>[NH2:21][C:28]1[C:32]([NH:11][CH2:10][CH2:9][S:8][CH2:7][C:5]2[N:6]=[C:2]([NH2:1])[S:3][CH:4]=2)=[N:31][S:30](=[O:35])[N:29]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 149026Tetrafluoro-m-phenylenediamine dihydrochlorideHCID 129139473,4-Dimethoxy-1,2,5-thiadiazole 1-oxideHCID 129234084-{[(2-Aminoethyl)sulfanyl]methyl}-1,3-thiazol-2-amine

Product 1

HCID 15964147HCID 15964147, compound

Reagents, catalysts & solvents 1

HCID 887MethanolSolvent2×

Procedure

A solution of 2-[(2-aminothiazol-4-yl)methylthio]ethylamine (from the dihydrochloride, 2.62 g; 10.0 mmoles) [prepared in Example 122, Step A] in 20 ml of methanol was added dropwise over 30 minutes to a cold (5°) solution of 3,4-dimethoxy-1,2,5-thiadiazole 1-oxide (1.62 g; 10.0 mmoles) in 50 ml of methanol. After stirring for 1.5 hours, anhydrous ammonia was bubbled into the solution for 30 minutes and the solution kept at 5° for 17 hours. The reaction mixture was evaporated under reduced pressure and the residue was chromatographed on a Preparative HPLC system using μ-porasil silica gel. The appropriate fractions were combined and evaporated under reduced pressure to give the title compound as an amorphous solid; the NMR spectrum (100 MHz) in d6 dimethyl sulfoxide showed the presence of approximately 0.4 moles of ethanol.

Workup

  1. customanhydrous ammonia was bubbled into the solution for 30 minutes
  2. waitthe solution kept at 5° for 17 hours
  3. customThe reaction mixture was evaporated under reduced pressure
  4. customthe residue was chromatographed on a Preparative HPLC system
  5. customevaporated under reduced pressure

Sources & evidence

ORD record
ord-47a548f6a7da4e0393d91ac06af57d04
Source dataset
uspto-grants-1984_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US04471122

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes