Phenethyl isocyanate → HCID 57422421, compound

HRID 2094949Notes

Reaction equation

HRID 2094949 reaction equation
[CH3:1][C:2]1[C:6]([CH2:7][N:8]2[CH:12]=[C:11]([NH2:13])[CH:10]=[N:9]2)=[C:5]([CH3:14])[O:4][N:3]=1.[CH2:15]([N:23]=[C:24]=[O:25])[CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>>[CH3:1][C:2]1[C:6]([CH2:7][N:8]2[CH:12]=[C:11]([NH:13][C:24]([NH:23][CH2:15][CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[O:25])[CH:10]=[N:9]2)=[C:5]([CH3:14])[O:4][N:3]=1

Participants

3

Reactant 2

HCID 160602Phenethyl isocyanateHCID 337812431-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine

Product 1

HCID 57422421HCID 57422421, compoundYield 29%

Procedure

Prepared as in example 9-6b from 1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine and phenethyl isocyanate. Yield: 29%. 1H NMR (DMSO-d6, 400 MHz): δ2.10 (s, 3H), 2.36 (s, 3H), 2.69 (t, J=7.2 Hz, 2H), 3.25 (q, J=7.4 Hz, 2H), 5.02 (s, 2H), 6.00 (t, J=5.8 Hz, 1H), 7.16-7.30 (m, 6H), 7.68 (s, 1H), 8.13 (s, 1H). LC/MS; [M+H] calculated for C18H21N5O2; expected 340.17; found 340.20.

Sources & evidence

ORD record
ord-0ac11d9d758d4b58b5dac80f261c935b
Source dataset
uspto-grants-2013_05
Patent number
US08445692B2

Reaction notes

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