Phenyl isocyanate → HCID 20199166, compound

HRID 652102Notes

Reaction equation

HRID 652102 reaction equation
[CH3:1][N:2]1[C:6]([NH:7][CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][N:19]3[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]3)[CH:13]=2)=[N:5][C:4]([CH2:25][NH2:26])=[N:3]1.[C:27]1([N:33]=[C:34]=[O:35])[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>C(#N)C>[CH3:1][N:2]1[C:6]([NH:7][CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[CH:13]=2)=[N:5][C:4]([CH2:25][NH:26][C:34]([NH:33][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)=[O:35])=[N:3]1

Participants

4

Reactant 2

HCID 7672Phenyl isocyanateHCID 20199116HCID 20199116, compound

Product 1

HCID 20199166HCID 20199166, compound

Reagents, catalysts & solvents 1

HCID 6342AcetonitrileSolvent

Procedure

A mixture of 1-methyl-5-[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]-1H-1,2,4-triazole-3-methanamine (0.75 g) and phenyl isocyanate (0.25 ml) in dry acetonitrile was stirred at 30° for 3 h. The solvent was removed in vacuo and the solid residue was crystallized from methyl acetate and petroleum ether (b.p. 60°-80°) to give the title compound (0.94 g) as a white solid, m.p. 120°-1°. T.l.c. System A, Rf 0.6.

Workup

  1. customThe solvent was removed in vacuo
  2. customthe solid residue was crystallized from methyl acetate and petroleum ether (b.p. 60°-80°)

Sources & evidence

ORD record
ord-e77b60762b0042faa5fa2e2ed37b2757
Source dataset
uspto-grants-1987_06
Patent number
US04670448

Reaction notes

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