HCID 13492, compound → HCID 19423821, compound

HRID 620412Notes

Reaction equation

HRID 620412 reaction equation
C([O:3]C1C=C(C=CC=1OCC)CC1C2C(=CC(OCC)=C(OCC)C=2)CC[NH+]=1)C.[N:30]1([C:41](=[O:42])[C:40]2[N:39]([CH2:43][C:44]([O-:46])=[O:45])[CH:38]=[N:37][C:36]=2[N:34]([CH3:35])[C:32]1=[O:33])[CH3:31].[CH2:47]([O:49][C:50]1[CH:51]=[C:52]([CH:70]=[CH:71][C:72]=1[O:73][CH2:74][CH3:75])[CH2:53][C:54]1[C:63]2[C:58](=[CH:59][C:60]([O:67][CH2:68][CH3:69])=[C:61]([O:64][CH2:65][CH3:66])[CH:62]=2)[CH2:57][CH2:56][N:55]=1)[CH3:48].N1(C(=O)C2N(CC(O)=O)C=NC=2N(C)C1=O)C>O>[OH2:3].[N:30]1([C:41](=[O:42])[C:40]2[N:39]([CH2:43][C:44]([O-:46])=[O:45])[CH:38]=[N:37][C:36]=2[N:34]([CH3:35])[C:32]1=[O:33])[CH3:31].[CH2:47]([O:49][C:50]1[CH:51]=[C:52]([CH:70]=[CH:71][C:72]=1[O:73][CH2:74][CH3:75])[CH2:53][C:54]1[C:63]2[C:58](=[CH:59][C:60]([O:67][CH2:68][CH3:69])=[C:61]([O:64][CH2:65][CH3:66])[CH:62]=2)[CH2:57][CH2:56][NH+:55]=1)[CH3:48]

Participants

5

Reactant 3

HCID 13492HCID 13492, compoundHCID 69550AcefyllineHCID 70045402HCID 70045402, compound

Product 1

HCID 19423821HCID 19423821, compound

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

A process for the preparation of the crystalline monohydrate of 1-(3',4'-diethoxy-benzyl)-6,(7-diethoxy-3,4-dihydro-isoquinolinium-theophylline-7-acetate and if desired of pure 1-(3',4'diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-isoquinolinium-theophylline-7-acetate free of contaminating oxidation products which comprises reacting 1-(3',4'-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-isoquinoline with theophylline-7-acetic acid in the presence of water and one or more organic solvents, and if desired dehydrating the 1-(3',4'-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-isoquinolinium-theophylline-7-acetate-monohydrate thus obtained.

Sources & evidence

ORD record
ord-d5fff101a779460e935878ab5cf82085
Source dataset
uspto-grants-1989_04
Patent number
US04820838

Reaction notes

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