Methylparaben → HCID 59756921, compound

HRID 1880584Notes

Reaction equation

HRID 1880584 reaction equation
[Cl:1][C:2]1[C:3]([CH:9]([OH:11])[CH3:10])=[N:4][C:5]([Cl:8])=[CH:6][CH:7]=1.O[C:13]1[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][CH:14]=1>>[Cl:1][C:2]1[C:3]([CH:9]([O:11][C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][CH:14]=2)[CH3:10])=[N:4][C:5]([Cl:8])=[CH:6][CH:7]=1

Participants

3

Reactant 2

HCID 7456MethylparabenHCID 86761704HCID 86761704, compound

Product 1

HCID 59756921HCID 59756921, compound

Procedure

The title compound was prepared from the intermediate from Step A and methyl 4-hydroxybenzoate using the Mitsunobu conditions described in EXAMPLE 4. 1H NMR (500 MHz, CDCl3): δ 7.97 (d, J=8.2 Hz, 2H); 7.67 (d, J=8.4 Hz, 1H); 7.26 (d, J=8.3 Hz, 1H); 6.94 (d, J=8.7 Hz, 2H); 5.85 (q, J=6.5 Hz, 1H); 3.90 (s, 3H); 1.78 (d, J=6.5 Hz, 3H). LCMS1 3.68 min. (M-OPhCO2Me)=174

Workup

  1. customLCMS1 3.68 min. (M-OPhCO2Me)=174

Sources & evidence

ORD record
ord-9b313f6bac894504a037adc8d6cc4a46
Source dataset
uspto-grants-2012_11
Patent number
US08318760B2

Reaction notes

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