4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID
- Product Name
- 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID
- CAS No.
- 15785-54-3
- Chemical Name
- 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID
- Synonyms
- 5-Nitrovanillic acid;Carbofuran Impurity 12;3-Nitro-4-hydroxy-5-methoxybenzoic acid;3-Methoxy-4-hydroxy-5-nitrobenzoic acid;Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-;4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID ISO 9001：2015 REACH
- CBNumber
- CB81483077
- Molecular Formula
- C8H7NO6
- Formula Weight
- 213.14
- MOL File
- 15785-54-3.mol
4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID Property
- Melting point:
- 216℃
- Boiling point:
- 386℃
- Density
- 1.564
- Flash point:
- 187℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.82±0.10(Predicted)
- color
- Pale Yellow to Yellow
- InChI
- InChI=1S/C8H7NO6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)
- InChIKey
- AEDVAGWYAKIOIM-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC([N+]([O-])=O)=C(O)C(OC)=C1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- H972698
- Product name
- 4-Hydroxy-3-methoxy-5-nitrobenzoicacid
- Packaging
- 100mg
- Price
- $130
- Updated
- 2021/12/16
- Product number
- 119775
- Product name
- 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $144
- Updated
- 2021/12/16
- Product number
- 119775
- Product name
- 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
- Purity
- 95+%
- Packaging
- 1g
- Price
- $360
- Updated
- 2021/12/16
- Product number
- CHM0390031
- Product name
- 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $498.38
- Updated
- 2021/12/16
- Product number
- CHM0390031
- Product name
- 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $995
- Updated
- 2021/12/16
4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID Chemical Properties,Usage,Production
Uses
4-Hydroxy-3-methoxy-5-nitrobenzoic acid is used as an intermediate for Opicapone. Opicapone is a catechol-O-methyltransferase (COMT) inhibitor used to increase the availability and duration of action of L-Dopa, the standard of care for Parkinson's disease.
Synthesis
121-34-6
15785-54-3
The general procedure for the synthesis of 4-hydroxy-3-methoxy-5-nitrobenzoic acid from vanillic acid was as follows: vanillic acid (20 g, 119 mmol) was dissolved in acetic acid (200 mL) and 60% nitric acid (9.7 mL, 126.4 mmol) was added slowly and dropwise. The reaction mixture was stirred at room temperature for 30 min and then poured into ice water to quench the reaction. The precipitate precipitated was collected by filtration, washed well with water and dried under vacuum to afford the target product 4-hydroxy-3-methoxy-5-nitrobenzoic acid as a yellow powder. The yield was 11.28 g (44% yield) and the melting point range was 216-219 °C (literature value 216 °C).
References
[1] Journal of Medicinal Chemistry, 2010, vol. 53, # 8, p. 3396 - 3411
[2] Chemistry Letters, 2016, vol. 45, # 4, p. 439 - 441
[3] Patent: EP1845097, 2007, A1. Location in patent: Page/Page column 7
[4] Patent: WO2013/89573, 2013, A1. Location in patent: Page/Page column 17-18
4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID Suppliers
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View Lastest Price from 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID manufacturers
- Product
- 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID 15785-54-3
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-03-15
- Product
- 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID 15785-54-3
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1000 kg
- Release date
- 2023-05-08
- Product
- 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID 15785-54-3
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2019-12-30