Methyl 2,2,2-trimethoxyacetate

Base Information

• Chemical Name: Methyl 2,2,2-trimethoxyacetate
• CAS No.: 18370-95-1
• Molecular Formula: C6H12O5
• Molecular Weight: 164.158
• Hs Code.: 2918990090
• European Community (EC) Number: 687-516-5
• DSSTox Substance ID: DTXSID90503479
• Nikkaji Number: J2.808.365C
• Wikidata: Q82357338
• Mol file: 18370-95-1.mol

Synonyms:methyl 2,2,2-trimethoxyacetate;18370-95-1;methyl trimethoxyacetate;TRIMETHOXY-ACETIC ACID METHYL ESTER;MFCD09701200;methyltrimethoxyacetate;Acetic acid, trimethoxy-, methyl ester;SCHEMBL788497;Methyl trimethoxyacetate, 96%;Methyl2,2,2-Trimethoxyacetate;DTXSID90503479;QTABOWCQAPYNPP-UHFFFAOYSA-N;trimethoxy-acetic acid methyl-ester;AKOS006331273;CS-W005715;SB34599;DS-17025;SY039031;AM20090075;FT-0775052;AR-527/43363322

Chemical Property of Methyl 2,2,2-trimethoxyacetate

Chemical Property:

• Refractive Index: n20/D1.413
• Boiling Point: 189.2 °C at 760 mmHg
• Flash Point: 70.7 °C
• PSA: 53.99000
• Density: 1.092 g/cm³
• LogP: -0.24760
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 164.06847348
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl2,2,2-Trimethoxyacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(OC)(OC)OC

Technology Process of Methyl 2,2,2-trimethoxyacetate

There total 8 articles about Methyl 2,2,2-trimethoxyacetate 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: 91.0%

methanol (67-56-1) + methyl 2,2-dichloro-2-methoxyacetate (17640-25-4) → methyl 2,2,2-trimethoxyacetate (18370-95-1)

Guidance literature:

With pyridine; In diethyl ether; at 20 ℃;

DOI:10.5012/bkcs.2010.31.04.1064

Reference yield: 79.3%

methyl 2,2-dichloro-2-methoxyacetate (17640-25-4) → methyl 2,2,2-trimethoxyacetate (18370-95-1)

Guidance literature:

With pyridine; methanol; In diethyl ether; at 0 - 5 ℃;

Reference yield:

1,1,2,2-tetramethoxyethylene (1069-12-1) → methyl 2,2,2-trimethoxyacetate (18370-95-1) + tetramethoxy-1,2-dioxethane (28793-21-7) + carbonic acid dimethyl ester (616-38-6)

Guidance literature:

With oxygen; ozone; In dichloromethane-d2; at -90 ℃; in NMR tube; var.: temperature ((-)95 deg C - (-)20 deg C), solvent (CD₃OD, CDCl₃, CD₃COCD₃);

upstream raw materials:

methanol

diethyl ether

methyl 2,2-dichloro-2-methoxyacetate

sodium methylate

Downstream raw materials:

methyl 5-chloroxazolo <4,5-h> quinoline-2-carboxylate

Dimethyl oxalate

5-ethyl-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid methyl ester

3-Methoxy-chinoxalin-2-on

Refernces

• 1、 Park, Ji Hae,Lee, Bun Yeoul. "Short and efficient synthesis of cyclopentadithiophene and its dialkylated product". experimental part. p. 1064 - 1066. Retrieved 2010/11/16.
• 2、 Kopecky, Karl R.,Molina, Jose,Rico, Rodrigo. "OZONOLYSIS OF THE TETRAMETHOXYETHENE". . p. 2234 - 2243. Retrieved 2007/10/02.