Methyl 2-(2,4-dinitrophenylthio)acetate

Base Information

• Chemical Name: Methyl 2-(2,4-dinitrophenylthio)acetate
• CAS No.: 4871-30-1
• Molecular Formula: C9H8N2O6S
• Molecular Weight: 272.23500
• DSSTox Substance ID: DTXSID10879729
• Nikkaji Number: J696.256D
• Wikidata: Q82861840
• Mol file: 4871-30-1.mol

Synonyms:methyl 2-(2,4-dinitrophenylthio)acetate;methyl 2-(2,4-dinitrophenyl)sulfanylacetate;DTXSID10879729;AKOS003273721;methyl [(2,4-dinitrophenyl)thio]acetate;2,4-Dinitrophenylthio-acetic acid, methyl ester;2-[(2,4-Dinitrophenyl)thio]acetic acid methyl ester

Chemical Property of Methyl 2-(2,4-dinitrophenylthio)acetate

Chemical Property:

• Melting Point: 93 - 94 °C (ethanol)
• PSA: 143.24000
• LogP: 2.81450
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 272.01030715
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

95% ^*data from raw suppliers

(2,4-DINITRO-PHENYLSULFANYL)-ACETIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Methyl 2-(2,4-dinitrophenylthio)acetate

There total 7 articles about Methyl 2-(2,4-dinitrophenylthio)acetate 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: 60.0%

Methyl thioglycolate (2365-48-2) + 1-chloro-2,4-dinitro-benzene (97-00-7) → methyl (2,4-dinitrophenylsulphanyl)ethanoate (4871-30-1)

Guidance literature:

With triethylamine; In 1,2-dimethoxyethane; at 20 ℃; for 1.5h;

DOI:10.1016/S0022-2860(03)00424-1

Reference yield: 60.0%

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + Methyl thioglycolate (2365-48-2) → methyl (2,4-dinitrophenylsulphanyl)ethanoate (4871-30-1)

Guidance literature:

With triethylamine; In methanol; chloroform; for 3h; Ambient temperature;

DOI:10.1135/cccc19971429

Reference yield:

2,4-dinitrothiophenol (2218-96-4) + methyl chloroacetate (96-34-4) → methyl (2,4-dinitrophenylsulphanyl)ethanoate (4871-30-1)

Guidance literature:

With potassium hydroxide; Diethylene glycol monobutyl ether; potassium iodide;

DOI:10.1021/ja01149a019

upstream raw materials:

methanol

2-(2,4-dinitrophenylthio)acetic acid

2,4-dinitrothiophenol

methyl chloroacetate

Downstream raw materials:

5-Phenyl-(2,4-dinitro-phenylmercapto)-penta-2,4-dien-carbonsaeure-methylester

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