Ethyl isocyanate → HCID 67089913, compound

HRID 2075445Notes

Reaction equation

HRID 2075445 reaction equation
C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl.[NH:15]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:17](/[CH:24]=[CH:25]/[C:26]2[CH:39]=[CH:38][C:29]([C:30]([N:32]3[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]3)=[O:31])=[CH:28][CH:27]=2)=[N:16]1.C(N(CC)CC)C.[CH2:47]([N:49]=[C:50]=[O:51])[CH3:48]>C1COCC1.O>[CH2:47]([NH:49][C:50]([N:35]1[CH2:36][CH2:37][N:32]([C:30](=[O:31])[C:29]2[CH:28]=[CH:27][C:26](/[CH:25]=[CH:24]/[C:17]3[C:18]4[C:23](=[CH:22][CH:21]=[CH:20][CH:19]=4)[NH:15][N:16]=3)=[CH:39][CH:38]=2)[CH2:33][CH2:34]1)=[O:51])[CH3:48]

Participants

7

Reactant 4

HCID 8022Ethyl isocyanateHCID 8471TriethylamineHCID 149026Tetrafluoro-m-phenylenediamine dihydrochlorideHCID 11427553(4-((1E)-2-(1H-Indazol-3-yl)ethenyl)phenyl)-1-piperazinylmethanone

Product 1

HCID 67089913HCID 67089913, compoundYield 55%

Reagents, catalysts & solvents 2

HCID 962WaterSolventHCID 8028TetrahydrofuranSolvent

Procedure

A solution of dihydrochloride of Compound 18 (400 mg, 1.09 mmol) in THF (20 mL) was added with triethylamine (0.42 mL, 3.01 mmol) and ethylisocyanate (117 mg, 1.65 mmol), followed by stirring at room temperature for 3 hours. The reaction mixture was added with water, and deposited crystal was collected by filtration and was dried to obtain Compound 59 (218 mg, 55%).

Workup

  1. filtrationwas collected by filtration
  2. customwas dried

Sources & evidence

ORD record
ord-09d4dbe9072d4d83bc4475e2340ae93e
Source dataset
uspto-grants-2011_04
Patent number
US07919517B2

Reaction notes

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