Neopentyl glycol → HCID 67401355, compound

HRID 471720Notes

Reaction equation

[CH3:1][C:2]([CH3:7])([CH2:5][OH:6])[CH2:3][OH:4].[N+:8]([C:11]1[CH:18]=[CH:17][CH:16]=[C:15]([N+]([O-])=O)[C:12]=1[C:13]#[N:14])([O-:10])=[O:9]>>[OH:4][CH2:3][C:2]([CH3:7])([CH3:1])[CH2:5][O:6][C:15]1[CH:16]=[CH:17][CH:18]=[C:11]([N+:8]([O-:10])=[O:9])[C:12]=1[C:13]#[N:14]

Participants

Reactant 2

HCID 31344Neopentyl glycol

HCID 520718Dinitrobenzonitrile

Product 1

HCID 67401355HCID 67401355, compoundYield 73%

Procedure

Prepared as in Example 215c from 2,2-dimethylpropane-1,3-diol and 2,6-dinitrobenzonitrile in 73% yield. 1H NMR (400 MHz, DMSO-d6) δ 0.94 (s, 6H), 3.29-3.31 (m, 2H), 3.95 (s, 2H), 4.69 (t, J=5.6 Hz, 1H), 7.69-7.71 (m, 1H), 7.84-7.90 (m, 2H).

Sources & evidence

ORD record: ord-edcf48f9ea7e4960a979b07b58824b19
Source dataset: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08633186B2

Reaction notes

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