Phenyl isocyanate → HCID 11605261, compound

HRID 2108914Notes

Reaction equation

HRID 2108914 reaction equation
[C:1]1([N:7]=[C:8]=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:10][O:11][C:12]1[CH:13]=[C:14]2[C:19](=[CH:20][C:21]=1[O:22][CH3:23])[N:18]=[CH:17][N:16]=[C:15]2[NH:24][C:25]1[S:26][C:27]2[CH:33]=[C:32]([NH2:34])[CH:31]=[CH:30][C:28]=2[N:29]=1>O>[CH3:10][O:11][C:12]1[CH:13]=[C:14]2[C:19](=[CH:20][C:21]=1[O:22][CH3:23])[N:18]=[CH:17][N:16]=[C:15]2[NH:24][C:25]1[S:26][C:27]2[CH:33]=[C:32]([NH:34][C:8]([NH:7][C:1]3[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=3)=[O:9])[CH:31]=[CH:30][C:28]=2[N:29]=1

Participants

4

Reactant 2

HCID 7672Phenyl isocyanateHCID 86248039N2-(6,7-dimethoxyquinazolin-4-yl)benzothiazole-2,6-diamine

Product 1

HCID 11605261HCID 11605261, compound

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

1-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl]-3-phenylurea was prepared from phenyl isocyanate (13 μL, 0.113 mmol) and N2-(6,7-di-methoxyquinazolin-4-yl)benzothiazole-2,6-diamine (40 mg, 0.113 mmol) according to GP 3. The mixture was poured into water (20 mL) and the resulting precipitate was purified by preparative HPLC to obtain a yellow solid (10 mg, 21 μmol, 19%). LC/ESI-MS: m/z=473 [M+H]+; m/z=471 [M−H]−; Rt=3.10 min.

Workup

  1. customthe resulting precipitate was purified by preparative HPLC

Sources & evidence

ORD record
ord-d70147b95b084cb0a024c75cf82de368
Source dataset
uspto-grants-2009_04
Patent number
US07514460B2

Reaction notes

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