4-tert-Butylcatechol → HCID 12057197, compound

HRID 1488753Notes

Reaction equation

HRID 1488753 reaction equation
[N+]([C:4]1[CH:5]=[C:6]([C:12]#[N:13])[C:7](=[CH:10][CH:11]=1)[C:8]#[N:9])([O-])=O.[C:14]([C:18]1[CH:19]=[C:20]([OH:25])[C:21](=[CH:23][CH:24]=1)[OH:22])([CH3:17])([CH3:16])[CH3:15]>>[C:8]([C:7]1[CH:10]=[C:11]([CH:4]=[CH:5][C:6]=1[C:12]#[N:13])[O:22][C:21]1[CH:23]=[CH:24][C:18]([C:14]([CH3:17])([CH3:15])[CH3:16])=[CH:19][C:20]=1[O:25][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[C:6]([C:12]#[N:13])[CH:5]=1)#[N:9]

Participants

3

Reactant 2

HCID 73814-tert-ButylcatecholHCID 974431,2-Benzenedicarbonitrile, 4-nitro-

Product 1

HCID 12057197HCID 12057197, compound

Procedure

The experimental procedure and reaction conditions were the same as described for Examples 5 and 6. Reagents used were 3.60 g (0.02 moles plus 0.14 g excess) of 4-nitrophthalonitrile and 1.66 g (0.01 moles) of 4-tert-butylcatechol (Aldrich). After workup and recrystallization 3.2 g (76.55% theoretical yield) of off-white crystals of the title compound were obtained. The product had the formula: ##STR14## The melting point was 161°-162° C. The elemental analysis for C26H18N4O2 was calc.: C, 74.64%; H, 4.30%; N, 13.39%; found: C, 74.55%; H, 4.25%; N, 13.39%.

Workup

  1. customThe experimental procedure and reaction conditions
  2. customAfter workup and recrystallization 3.2 g (76.55% theoretical yield) of off-white crystals of the title compound
  3. customwere obtained

Sources & evidence

ORD record
ord-6f8b4cc901be47e78182363f7c98be6a
Source dataset
uspto-grants-1997_10
Patent number
US05675020

Reaction notes

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