Cas no 22633-33-6 (Methyl 3,5-dinitrosalicylate)
Methyl 3,5-dinitrosalicylate Chemical and Physical Properties
Names and Identifiers
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- methyl 3,5-dinitrosalicylate
- 3,5-Dinitro Salicylic Acid Methyl Ester
- 3,5-DINITROMETHYLSALICYLATE
- Methyl 2-hydroxy-3,5-dinitrobenzoate
- Methyl 3,5-Dinitrosa
- Methyl 3,5-dinitro-2-hydroxybenzoate
- 3,5-Dinitrosalicyclic acid methy ester
- Benzoic acid, 2-hydroxy-3,5-dinitro-, methyl ester
- Benzoic acid,2-hydroxy-3,5-dinitro-, methyl ester
- 3,5-Dinitrosalicylic acid methyl ester
- 3, methyl ester
- 3,5-Dinitrosalicylic acid, methyl ester
- Salicylic acid, 3,5-dinitro-, methyl ester
- 3,5-DINITROMETHYLSALI
- 22633-33-6
- J-519755
- AC7910
- AC-29755
- FT-0638244
- methyl 2-hydroxy-3, 5-dinitrobenzoate
- Salicylic acid,5-dinitro-, methyl ester
- SCHEMBL591200
- EINECS 245-144-7
- MFCD00017561
- NSC 203306
- CS-0315028
- AS-9544
- NSC-203306
- AKOS000266576
- NSC203306
- RQ5L227PAH
- NS00027236
- DTXSID6066816
- 3,5-Dinitrosalicyclicacidmethyester
- UNII-RQ5L227PAH
- SY056856
- InChI=1/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H
- 3,5-Dinitro Salicylic Acid Methyl Ester; NSC 203306
- STK365897
- DB-045956
- ALBB-019690
- UMELTKSLWXJXNZ-UHFFFAOYSA-N
- DTXCID3036733
- Methyl 3,5-dinitrosalicylate
-
- MDL: MFCD00017561
- Inchi: 1S/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H3
- InChI Key: UMELTKSLWXJXNZ-UHFFFAOYSA-N
- SMILES: OC1C(=CC(=CC=1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 242.01800
- Monoisotopic Mass: 242.01750053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 1.6
- Topological Polar Surface Area: 138
Experimental Properties
- Melting Point: 125-127
- PSA: 138.17000
- LogP: 2.04160
Methyl 3,5-dinitrosalicylate Customs Data
- HS CODE:2918290000
- Customs Data:
China Customs Code:
2918290000Overview:
2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported foodSummary:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%
Methyl 3,5-dinitrosalicylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M303775-50mg |
Methyl 3,5-Dinitrosalicylate |
22633-33-6 | 50mg |
$ 92.00 | 2023-09-07 | ||
| TRC | M303775-100mg |
Methyl 3,5-Dinitrosalicylate |
22633-33-6 | 100mg |
$ 133.00 | 2023-09-07 | ||
| TRC | M303775-250mg |
Methyl 3,5-Dinitrosalicylate |
22633-33-6 | 250mg |
$ 293.00 | 2023-09-07 | ||
| TRC | M303775-500mg |
Methyl 3,5-Dinitrosalicylate |
22633-33-6 | 500mg |
$557.00 | 2023-05-18 | ||
| TRC | M303775-1g |
Methyl 3,5-Dinitrosalicylate |
22633-33-6 | 1g |
$ 835.00 | 2022-06-04 | ||
| Apollo Scientific | OR14438-1g |
Methyl 3,5-dinitro-2-hydroxybenzoate |
22633-33-6 | 1g |
£28.00 | 2024-05-22 | ||
| Apollo Scientific | OR14438-5g |
Methyl 3,5-dinitro-2-hydroxybenzoate |
22633-33-6 | 5g |
£83.00 | 2024-05-22 | ||
| abcr | AB235283-1 g |
Methyl 3,5-dinitrosalicylate |
22633-33-6 | 1g |
€83.80 | 2022-06-02 | ||
| abcr | AB235283-5 g |
Methyl 3,5-dinitrosalicylate |
22633-33-6 | 5g |
€175.30 | 2022-06-02 | ||
| abcr | AB235283-10 g |
Methyl 3,5-dinitrosalicylate |
22633-33-6 | 10g |
€266.80 | 2022-06-02 |
Methyl 3,5-dinitrosalicylate Suppliers
Methyl 3,5-dinitrosalicylate Related Literature
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1. O-Glycosylations under neutral or basic conditionsKnud J. Jensen J. Chem. Soc. Perkin Trans. 1 2002 2219
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B. B. Wheals,R. E. Weston Analyst 1971 96 78
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3. Intramolecular base catalysed hydrolysis of ortho-hydroxyaryl esters: the anomalous position of methyl 3,5-dinitrosalicylate on the Linear Free Energy Relationship plotAlexei U. Moozyckine,D. Martin Davies J. Chem. Soc. Perkin Trans. 2 2002 1158
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Jane B. Laursen,Lars Petersen,Knud J. Jensen,John Nielsen Org. Biomol. Chem. 2003 1 3147
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5. Participation of o-carboxylate groups in aromatic nucleophilic substitutionR. Muthukrishnan,R. Kannan,S. Swaminathan J. Chem. Soc. Perkin Trans. 1 1973 2949
Additional information on Methyl 3,5-dinitrosalicylate
Methyl 3,5-dinitrosalicylate (CAS No. 22633-33-6): A Comprehensive Overview
Methyl 3,5-dinitrosalicylate, with the chemical formula C?H?N?O? and CAS number 22633-33-6, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, characterized by its nitro and ester functional groups, has garnered attention due to its versatile applications in synthetic chemistry and potential therapeutic properties.
The structure of Methyl 3,5-dinitrosalicylate consists of a salicylic acid backbone substituted with two nitro groups at the 3rd and 5th positions, further modified by an ester group at the 1st position. This unique structural configuration imparts distinct chemical reactivity and makes it a valuable intermediate in various chemical syntheses. The presence of multiple nitro groups enhances its utility in electrophilic aromatic substitution reactions, making it a preferred choice for researchers exploring novel synthetic pathways.
In recent years, Methyl 3,5-dinitrosalicylate has been extensively studied for its potential applications in medicinal chemistry. The nitro groups in its structure can be selectively reduced to amine functionalities, which are crucial in the synthesis of bioactive molecules. This property has been exploited in the development of novel drug candidates targeting various diseases, including inflammatory disorders and infectious diseases.
One of the most compelling aspects of Methyl 3,5-dinitrosalicylate is its role as a precursor in the synthesis of heterocyclic compounds. Heterocycles are fundamental structures in many pharmaceuticals and agrochemicals due to their biological activity. Researchers have leveraged the reactivity of the nitro groups to introduce diverse functional moieties into the salicylic acid scaffold, leading to the discovery of several promising lead compounds. These efforts have been particularly fruitful in the development of antimicrobial agents and anti-inflammatory drugs.
The compound's stability under various reaction conditions makes it an ideal candidate for multi-step synthetic protocols. Its ability to undergo nucleophilic substitution reactions while maintaining structural integrity has been utilized in the construction of complex molecular architectures. This has opened up new avenues for drug design, allowing chemists to explore intricate molecular frameworks with potential therapeutic benefits.
Recent advancements in computational chemistry have further enhanced the understanding of Methyl 3,5-dinitrosalicylate's reactivity. Molecular modeling studies have provided insights into how the nitro groups influence electronic distributions and interaction with biological targets. These insights have guided experimental design, leading to more efficient synthetic routes and improved yields of target compounds. The integration of experimental data with computational predictions has become a cornerstone in modern drug discovery processes.
The pharmaceutical industry has shown particular interest in Methyl 3,5-dinitrosalicylate due to its potential as an intermediate in producing novel therapeutics. Its structural features allow for modifications that can fine-tune pharmacokinetic properties such as solubility, bioavailability, and metabolic stability. This flexibility has been instrumental in developing drugs with enhanced efficacy and reduced side effects.
Moreover, Methyl 3,5-dinitrosalicylate has found applications beyond pharmaceuticals. In materials science, it serves as a building block for synthesizing polymers with specialized properties. These polymers exhibit unique characteristics such as high thermal stability and chemical resistance, making them suitable for advanced industrial applications.
The environmental impact of using Methyl 3,5-dinitrosalicylate has also been a subject of research. Efforts have been made to develop greener synthetic methods that minimize waste and reduce energy consumption. These initiatives align with global trends toward sustainable chemistry practices, ensuring that the compound's production is both efficient and environmentally friendly.
In conclusion, Methyl 3,5-dinitrosalicylate (CAS No. 22633-33-6) is a multifaceted compound with significant implications in organic synthesis and pharmaceutical research. Its unique structural features and reactivity make it a valuable tool for developing new drugs and materials. As research continues to uncover its potential applications, this compound is poised to play an even greater role in advancing scientific knowledge and technological innovation.
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