Ethyl isocyanate → HCID 68837724, compound

HRID 2112964Notes

Reaction equation

HRID 2112964 reaction equation
[CH2:1]([C:3]1[S:4][C:5]([C:8]2[N:13]3[N:14]=[C:15]([NH2:17])[N:16]=[C:12]3[CH:11]=[C:10]([C:18]3[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=3)[CH:9]=2)=[CH:6][N:7]=1)[CH3:2].[CH2:24]([N:26]=[C:27]=[O:28])[CH3:25]>C([O-])(=O)C.C([O-])(=O)C.C([Sn+2]CCCC)CCC.C1(C)C=CC=CC=1>[CH2:24]([NH:26][C:27]([NH:17][C:15]1[N:16]=[C:12]2[CH:11]=[C:10]([C:18]3[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=3)[CH:9]=[C:8]([C:5]3[S:4][C:3]([CH2:1][CH3:2])=[N:7][CH:6]=3)[N:13]2[N:14]=1)=[O:28])[CH3:25]

Participants

5

Reactant 2

HCID 8022Ethyl isocyanateHCID 68838949HCID 68838949, compound

Product 1

HCID 68837724HCID 68837724, compound

Reagents, catalysts & solvents 2

HCID 9798523Di-n-butyl diacetoxy tinCatalystHCID 1140TolueneSolvent

Conditions

Temperature
125 °C

Procedure

A suspension of the product of Step 1 (75 mg, 0.23 mmol), ethylisocyanate (92 μL, 1.17 mmol), and dibutyltin diacetate (2 drops) in dry toluene (5 mL) was heated at 125° C. in a microwave reactor for 1 h. After being cooled at room temperature, the precipitated solid was filtered, and washed with chloroform to give the title compound as a solid. MS m/z 394 (M+H+).

Workup

  1. temperatureAfter being cooled at room temperature
  2. filtrationthe precipitated solid was filtered
  3. washwashed with chloroform

Sources & evidence

ORD record
ord-e90cb68117ba41e787e8ad11ac045b8f
Source dataset
uspto-grants-2009_04
Patent number
US07524860B2

Reaction notes

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