Methyl 3,5-dinitrosalicylate

Base Information

• Chemical Name: Methyl 3,5-dinitrosalicylate
• CAS No.: 22633-33-6
• Molecular Formula: C8H6N2O7
• Molecular Weight: 242.145
• Hs Code.: 2918199890
• European Community (EC) Number: 245-144-7
• NSC Number: 203306
• UNII: RQ5L227PAH
• DSSTox Substance ID: DTXSID6066816
• Nikkaji Number: J286.267K
• Wikidata: Q72490305
• Mol file: 22633-33-6.mol

Synonyms:Methyl 3,5-dinitrosalicylate;22633-33-6;methyl 2-hydroxy-3,5-dinitrobenzoate;Benzoic acid, 2-hydroxy-3,5-dinitro-, methyl ester;RQ5L227PAH;3,5-Dinitrosalicylic acid, methyl ester;3,5-Dinitrosalicyclicacidmethyester;EINECS 245-144-7;MFCD00017561;NSC 203306;NSC-203306;3,5-Dinitrosalicyclic acid methy ester;Salicylic acid, 3,5-dinitro-, methyl ester;3,5-Dinitrosalicylic acid methyl ester;3,5-Dinitro salicylic acid methyl ester;3, methyl ester;Benzoic acid,2-hydroxy-3,5-dinitro-, methyl ester;UNII-RQ5L227PAH;SCHEMBL591200;DTXSID6066816;AC7910;NSC203306;STK365897;AKOS000266576;Methyl 3,5-dinitro-2-hydroxybenzoate;AS-9544;Salicylic acid,5-dinitro-, methyl ester;AC-29755;SY056856;CS-0315028;FT-0638244;2-Hydroxy-3,5-dinitrobenzoic acid methyl ester;J-519755

Chemical Property of Methyl 3,5-dinitrosalicylate

Chemical Property:

• Appearance/Colour: Off-white solid
• Vapor Pressure: 2.63E-05mmHg at 25°C
• Melting Point: 125-127 °C
• Refractive Index: 1.627
• Boiling Point: 347.713 °C at 760 mmHg
• PKA: 3.81±0.44(Predicted)
• Flash Point: 164.091 °C
• Density: 1.62 g/cm³
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, DMSO, Methanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 242.01750053
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

99%, ^*data from raw suppliers

Methyl 3,5-dinitrosalicylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
• Uses: Derivative of Salicylic acid.

Technology Process of Methyl 3,5-dinitrosalicylate

There total 11 articles about Methyl 3,5-dinitrosalicylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

methanol (67-56-1) + 3,5-dinitrosalicylic acid (609-99-4) → methyl-3,5-dinitrosalicylate (22633-33-6)

Guidance literature:

With sulfuric acid; for 15h; Heating;

DOI:10.1016/j.molstruc.2007.06.012

Reference yield:

methyl salicylate (119-36-8,8024-54-2) → methyl-3,5-dinitrosalicylate (22633-33-6)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

methyl acetylsalicylate (580-02-9) → methyl-3,5-dinitrosalicylate (22633-33-6)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1007/BF02910308

upstream raw materials:

methanol

3,5-dinitrosalicylic acid

2-hydroxy-3,5-dinitro-benzoyl chloride

methyl acetylsalicylate

Downstream raw materials:

2-ethoxycarbonylmethoxy-3,5-dinitro-benzoic acid methyl ester

methyl 2-chloro-3,5-dinitrobenzoate

2,4,6-Trinitrophenol

2-Hydroxy-3,5-dinitrobenzoic acid hydrazide

Refernces

• 1、 Shen, Yu-Dong,Zhang, Shi-Wei,Lei, Hong-Tao,Wang, Hong,Xiao, Zhi-Li,Jiang, Yue-Ming,Sun, Yuan-Ming. "Design and synthesis of immunoconjugates and development of an indirect ELISA for rapid detection of 3, 5-dinitrosalicyclic acid hydrazide". . p. 2238 - 2248. Retrieved 2008/12/23.
• 2、 Fersht,Kirby. "Intramolecular nucleophilic catalysis in the hydrolysis of substituted aspirin acids.". . p. 5826 - 5832. Retrieved 2007/10/05.