Isobutanol → HCID 66746823, compound

HRID 711765Notes

Reaction equation

[N+]([C:4]1[CH:11]=[CH:10][CH:9]=[C:8]([N+:12]([O-:14])=[O:13])[C:5]=1[C:6]#[N:7])([O-])=O.[CH2:15]([OH:19])[CH:16]([CH3:18])[CH3:17]>>[CH2:15]([O:19][C:4]1[CH:11]=[CH:10][CH:9]=[C:8]([N+:12]([O-:14])=[O:13])[C:5]=1[C:6]#[N:7])[CH:16]([CH3:18])[CH3:17]

Participants

Reactant 2

HCID 6560Isobutanol

HCID 520718Dinitrobenzonitrile

Product 1

HCID 66746823HCID 66746823, compound

Procedure

Prepared in a similar manner as example 160c from 2,6-dinitrobenzonitrile and isobutanol to provide 2-isobutoxy-6-nitrobenzonitrile. 1H NMR (400 MHz, DMSO-d6) δ 1.05 (d, J=6.4 Hz, 6H), 2.11 (sept, J=6.6 Hz, 1H), 4.07 (d, J=6.5 Hz, 2H), 7.75 (dd, J=8.0, 1.9 Hz, 1H), 7.91 (t, J=8.2 Hz, 1H), 7.94 (dd, J=8.2, 1.9 Hz, 1H).

Sources & evidence

ORD record: ord-c4629e9fdfe04bddaf75c7407f8adf66
Source dataset: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09181276B2

Reaction notes

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