2-Tolyl isocyanate → HCID 57513608, compound

HRID 2368400Notes

Reaction equation

HRID 2368400 reaction equation
[NH2:1][C:2]([CH3:25])([CH3:24])[C:3]([NH:5][C:6]1[S:7][C:8]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[C:9]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[N:10]=1)=[O:4].[C:26]1([CH3:35])[C:27]([N:32]=[C:33]=[O:34])=[CH:28][CH:29]=[CH:30][CH:31]=1>C(Cl)Cl>[CH2:17]([C:8]1[S:7][C:6]([NH:5][C:3](=[O:4])[C:2]([CH3:25])([NH:1][C:33]([NH:32][C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][C:26]=2[CH3:35])=[O:34])[CH3:24])=[N:10][C:9]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1

Participants

4

Reactant 2

HCID 691942-Tolyl isocyanateHCID 57513606HCID 57513606, compound

Product 1

HCID 57513608HCID 57513608, compound

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

2-Amino-N-(benzyl-4-phenyl-thiazol-2-yl)-2-methyl-propionamide (100 mg, 0.3 mmol) and o-tolyl isocyanate (36 mg, 0.3 mmol) were stirred as a solution in DCM (5 mL). Purification via HPLC afforded the title compound. 1H NMR (400 MHz, CHLOROFORM-D) δ 1.58 (s, 6H) 2.22 (s, 3H) 4.13 (s, 2H) 5.76 (s, 1H) 7.15, (s, 5H) 7.32 (s, 4H) 7.50 (s, 6H). m/z 485.2 (MH+).

Workup

  1. customPurification via HPLC

Sources & evidence

ORD record
ord-7139795328c84ff18545d67d0da81cf0
Source dataset
uspto-grants-2014_04
Patent number
US08703761B2

Reaction notes

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