Ethyl isocyanate → HCID 73052712, compound

HRID 1497814Notes

Reaction equation

HRID 1497814 reaction equation
NC1N=C2C(C3C=CC=C(C(F)(F)F)C=3)=C(C)C(C3N(C4C=CC(C#N)=CC=4)N=CC=3)=CN2N=1.C(N=C=O)C.ClC[CH2:42][CH2:43][NH:44][C:45]([NH:47][C:48]1[N:80]=[C:51]2[C:52]([C:70]3[CH:75]=[CH:74][CH:73]=[C:72]([C:76]([F:79])([F:78])[F:77])[CH:71]=3)=[C:53]([CH3:69])[C:54]([C:56]3[N:57]([C:61]4[CH:66]=[CH:65][C:64]([C:67]#[N:68])=[CH:63][CH:62]=4)[N:58]=[CH:59][CH:60]=3)=[CH:55][N:50]2[N:49]=1)=[O:46]>>[C:67]([C:64]1[CH:63]=[CH:62][C:61]([N:57]2[C:56]([C:54]3[C:53]([CH3:69])=[C:52]([C:70]4[CH:75]=[CH:74][CH:73]=[C:72]([C:76]([F:79])([F:78])[F:77])[CH:71]=4)[C:51]4[N:50]([N:49]=[C:48]([NH:47][C:45]([NH:44][CH2:43][CH3:42])=[O:46])[N:80]=4)[CH:55]=3)=[CH:60][CH:59]=[N:58]2)=[CH:66][CH:65]=1)#[N:68]

Participants

4

Reactant 3

HCID 8022Ethyl isocyanateHCID 730509764-{5-[2-Amino-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrazol-1-yl}-benzonitrileHCID 86708108HCID 86708108, compound

Product 1

HCID 73052712HCID 73052712, compound

Procedure

The title compound was prepared from 4-{5-[2-amino-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrazol-1-yl}-benzonitrile (Ex. 1, 100 mg, 0.218 mmol) and ethyl isocyanate (90 μL, 1.089 mmol) using a similar method to that employed in Intermediate 21 (27 mg).

Sources & evidence

ORD record
ord-be71cdf8e3d04348bcdde3ccdb6a8821
Source dataset
uspto-grants-2015_12
Patent number
US09199984B2

Reaction notes

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