91004-48-7

Basic information

• Product Name: 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID
• Synonyms: 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID;3,4-dimethoxy-5-nitrobenzoic acid(WXC04825)
• CAS NO: 91004-48-7
• Molecular Formula: C₉H₉NO₆
• Molecular Weight: 227.17
• Mol File: 91004-48-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 194-195 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• Boiling Point: 399.4±42.0 °C(Predicted)
• Appearance: /
• Density: 1.403±0.06 g/cm3(Predicted)
• PKA: 3.73±0.10(Predicted)
• CAS DataBase Reference: 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID(91004-48-7)
• EPA Substance Registry System: 3,4-DIMETHOXY-5-NITRO-BENZOIC ACID(91004-48-7)

Safety Data

• Hazardous Substances Data: 91004-48-7(Hazardous Substances Data)

Upstream product

• 22027-96-9 5-nitroveratral 
• 90617-61-1 5-allyl-1,2-dimethoxy-3-nitrobenzene 
• 148546-84-3 methyl 3,4-dimethoxy-5-nitrobenzoate 
• 78380-78-6 3,4-dimethoxy-5-nitro-toluene 
• 74-88-4 methyl iodide 
• 6635-20-7 isonitrovanillin 
• 121-33-5 vanillin 
• 120-14-9 3,4-dimethoxy-benzaldehyde 
• 881-68-5 vanillin acetate 
• 74-87-3 methylene chloride 
• 77-78-1 dimethyl sulfate 
• 56521-01-8 4-allyl-2-methoxy-6-nitrophenol 

Downstream Products

• 148546-84-3 methyl 3,4-dimethoxy-5-nitrobenzoate 
• 134612-08-1 1-(3,4-dimethoxy-5-nitrobenzoyl)imidazole 
• 923288-14-6 5-(5-methyl-[1,3,4]oxadiazol-2-yl)-3-nitro-benzene-1,2-diol 
• 923287-61-0 2-(3,4-dimethoxy-5-nitro-phenyl)-5-methyl-[1,3,4]oxadiazole 
• 923288-11-3 3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)pyridine 1-oxide 
• 923287-78-9 3-[5-(3,4-dimethoxy-5-nitro-phenyl)-[1,3,4]oxadiazol-2-yl]-2-trifluoromethyl-pyridine 
• 861556-80-1 3,4-dimethoxy-5-aminobenzoic acid 
• 923287-50-7 2,5-dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide 

Relevant articles and documents

Aminobenzoic acid derivative and preparation method and application thereof

The invention relates to an aminobenzoic acid derivative and a preparation method and application thereof, and belongs to the field of medicinal chemistry, and the structural formula of the aminobenzoic acid derivative is shown in the specification, R is alkyl, substituted phenyl, heteroaromatic ring group or substituted styryl; R is alkyl; R is alkyl, substituted phenyl or benzyl; R is alkyl; R is guanidyl; and R is alkyl. The preparation method is simple and high in yield. Most compounds of the invention have good influenza virus neuraminidase inhibition activity.

PROCESS FOR THE PREPARATION OF OPICAPONE AND INTERMEDIATES THEREOF

The present invention i s relates to a process for the preparation of opicapone and a process to prepare intermediates to be used therein.

Discovery of a long-acting, peripherally selective inhibitor of catechol- O -methyltransferase

Novel nitrocatechol-substituted heterocycles were designed and evaluated for their ability to inhibit catechol-O-methyltransferase (COMT). Replacement of the pyrazole core of the initial hit 4 with a 1,2,4-oxadiazole ring resulted in a series of compounds endowed with longer duration of COMT inhibition. Incorporation of a pyridine N-oxide residue at position 3 of the 1,2,4-oxadiazole ring led to analogue 37f, which was found to possess activity comparable to entacapone and lower toxicity in comparison to tolcapone. Lead structure 37f was systematically modified in order to improve selectivity and duration of COMT inhibition as well as to minimize toxicity. Oxadiazole 37d (2,5-dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4, 6-dimethylpyridine 1-oxide (BIA 9-1067)) was identified as a long-acting, purely peripheral inhibitor, which is currently under clinical evaluation as an adjunct to l-Dopa therapy of Parkinson's disease.