4-Ethylphenyl isocyanate → HCID 178436618, compound

HRID 1993562Notes

Reaction equation

HRID 1993562 reaction equation
[NH:1]1[C:5]([C:6]2[CH:11]=[C:10]([O:12][C:13]3[CH:18]=[CH:17][C:16]([NH2:19])=[CH:15][CH:14]=3)[CH:9]=[CH:8][N:7]=2)=[N:4][N:3]=[N:2]1.[CH2:20]([C:22]1[CH:27]=[CH:26][C:25]([N:28]=[C:29]=[O:30])=[CH:24][CH:23]=1)[CH3:21]>>[CH2:20]([C:22]1[CH:27]=[CH:26][C:25]([NH:28][C:29]([NH:19][C:16]2[CH:15]=[CH:14][C:13]([O:12][C:10]3[CH:9]=[CH:8][N:7]=[C:6]([C:5]4[NH:1][N:2]=[N:3][N:4]=4)[CH:11]=3)=[CH:18][CH:17]=2)=[O:30])=[CH:24][CH:23]=1)[CH3:21]

Participants

3

Reactant 2

HCID 900074-Ethylphenyl isocyanateHCID 178507761HCID 178507761, compound

Product 1

HCID 178436618HCID 178436618, compound

Procedure

The title compound is prepared as described In Example 102 but using 4-[2-(1H-tetrazol-5-yl)-pyridin-4-yloxy]-phenylamine (Example 122) and 4-ethyl-phenyl-isocyanate. The reaction mixture is stirred for 4 h. The crude product is washed with a solution of CH2Cl2/MeOH (95/5) and dried in vacuo to afford the title compound as a beige solid: ES-MS: 402.0 [M+H]+; single peak at tR=7.73 min (System 2); Rf=0.20 (CH2Cl2/MeOH, 80/20).

Workup

  1. customThe title compound is prepared
  2. washThe crude product is washed with a solution of CH2Cl2/MeOH (95/5)
  3. customdried in vacuo

Sources & evidence

ORD record
ord-cdee73eabd3b42e0b170a273bd88758e
Source dataset
uspto-grants-2010_01
Patent number
US07652022B2

Reaction notes

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