Ethoxycarbonylmethyl methyl phthalate

Base Information

• Chemical Name: Ethoxycarbonylmethyl methyl phthalate
• CAS No.: 85-71-2
• Molecular Formula: C13H14 O6
• Molecular Weight: 266.251
• Hs Code.: 2917349000
• European Community (EC) Number: 201-625-3
• NSC Number: 4836
• UNII: 01HT00FI3B
• DSSTox Substance ID: DTXSID30861661
• Nikkaji Number: J35.439B
• Wikidata: Q27231429
• Mol file: 85-71-2.mol

Synonyms:Santicizer M-17;Ethoxycarbonylmethyl methyl phthalate;METHYL PHTHALYL ETHYL GLYCOLATE;85-71-2;Methyl carbethoxymethyl phthalate;methylphthalyl ethyl glycolate;1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl methyl ester;(Ethoxycarbonyl)methyl phthalate;Ethyl o-(methoxycarbonyl)benzoyloxyacetate;Phthalic acid, methyl ester, ester with ethyl glycolate;Glycolic acid, ethyl ester, methyl phthalate;NSC 4836;UNII-01HT00FI3B;01HT00FI3B;Phthalic acid, monomethyl ester, ester with ethyl glycolate;Ethyl O-(o-(methoxycarbonyl)benzoyl)glycolate;Ethoxykarbonylmethyl-methylester kyseliny ftalove;NSC-4836;EINECS 201-625-3;BRN 1995396;AI3-01792;Ethyl o-[o-(methoxycarbonyl)benzoyl]glycolate;phthalic acid ethoxycarbonylmethyl ester methyl ester;Ethoxykarbonylmethyl-methylester kyseliny ftalove [Czech];C13H16O6;WLN: 2OV1OVR BVO1;Glycolic acid, methyl phthalate;OYMDOVKIWFMTAW-UHFFFAOYSA-;DTXSID30861661;NSC4836;2-ethoxy-2-oxoethyl methyl phthalate;1, 2-ethoxy-2-oxoethyl methyl ester;Phthalic acid, ester with ethyl glycolate;1-(2-Ethoxy-2-oxoethyl) 2-methyl phthalate #;3,4-dihydroxybutyl methyl benzene-1,2-dicarboxylate;Phthalic acid 1-ethoxycarbonylmethyl 2-methyl ester;2-Ethoxy-2-oxoethyl methyl benzene-1,2-dicarboxylate;Q27231429;1-O-(3,4-Dihydroxybutyl)2-O-methyl benzene-1,2-dicarboxylate

Chemical Property of Ethoxycarbonylmethyl methyl phthalate

Chemical Property:

• Vapor Pressure: 2.27E-05mmHg at 25°C
• Melting Point: -35°C
• Refractive Index: 1.5230 (estimate)
• Boiling Point: 360.1°C at 760 mmHg
• Flash Point: 158°C
• PSA: 78.90000
• Density: 1.22g/cm³
• LogP: 1.19310
• Water Solubility.: 529.7mg/L(20 oC)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 266.07903816
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OC

Technology Process of Ethoxycarbonylmethyl methyl phthalate

There total 1 articles about Ethoxycarbonylmethyl methyl phthalate 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:

chloroacetic acid ethyl ester (105-39-5) → phthalic acid ethoxycarbonylmethyl ester-methyl ester (85-71-2)

Guidance literature:

With ethanol;

upstream raw materials:

chloroacetic acid ethyl ester

Refernces

Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction

10.1021/acs.joc.0c00882

The study presents an organocatalytic cascade reaction for synthesizing spirocyclic benzothiophenones with multiple stereocenters. The key chemicals involved are 2-alkylidene benzo[b]thiophenone derivatives acting as Michael acceptors and enones as donors. The reaction is catalyzed by a primary amine derived from cinchonidine, with 4-nitrobenzoic acid used as an additive. The process efficiently produces spirobenzothiophenonic cyclohexane derivatives with high yields (88-96%), enantioselectivities (85-97% ee), and diastereoselectivities (approximately 14/2/1). The synthesized compounds, containing three stereocenters, are valuable for their potential applications in medicinal chemistry due to their interesting physiochemical properties and biological activities. The study also explores the scope and limitations of the method, demonstrating its applicability with various enones and benzothiophenone derivatives, and showcases the potential for further transformations of the spirocompounds.

Heterocyclic amine salts of Keggin heteropolyacids used as catalyst for the selective oxidation of sulfides to sulfoxides

10.1016/j.tetlet.2008.01.009

The research focuses on the selective oxidation of sulfides to sulfoxides using heterocyclic amine salts of Keggin heteropolyacids as catalysts. The study explores the effectiveness of various heteropolyacids, including those derived from quinoline (PM12Qui), cinchonidine (PM12Cid), and cinchonine (PM12Cin), in combination with different green oxidants such as hydrogen peroxide, urea–hydrogen peroxide complex, sodium percarbonate, and tert-butyl-hydroperoxide. The experiments were conducted under various conditions to optimize the reaction yields and selectivity. Key findings include the high catalytic activity and recoverability of the cinchonine heteropolyacid catalyst, which also demonstrated enantioselectivity in the oxidation process. The study highlights the operational simplicity, mild reaction conditions, and high yields achieved, positioning these catalysts as a green alternative for the oxidation of sulfides to sulfoxides.

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