2-Methyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Methyl-1,3-dioxolane
• CAS No.: 497-26-7
• Deprecated CAS: 1331-09-5,89579-87-3,89579-87-3
• Molecular Formula: C4H8 O2
• Molecular Weight: 88.1063
• Hs Code.: 29329990
• European Community (EC) Number: 207-841-4
• NSC Number: 5209
• UNII: 94W0R6V90A
• DSSTox Substance ID: DTXSID7060095
• Nikkaji Number: J25.401K
• Mol file: 497-26-7.mol

Synonyms:2-methyldioxolane;cis methyldioxolane;cis-methyldioxolane;cisdioxo

Chemical Property of 2-Methyl-1,3-dioxolane

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 341.95mmHg at 25°C
• Refractive Index: 1.389
• Boiling Point: 82 - 83 C
• Flash Point: -2 C
• PSA: 18.46000
• Density: 0.97g/cm³
• LogP: 0.37920
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive
• Water Solubility.: Completely miscible in water
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 38.8

Purity/Quality:

98.0%Min ^*data from raw suppliers

2-Methyl-1,3-dioxolane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 2 (Packing Group: II) UN NO.
• Hazard Codes: F,Xi
• Statements: 11-36
• Safety Statements: 16-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1OCCO1
• Uses: Extractant and solvent for oils, fats, waxes,dyestuffs, and cellulose derivatives. 2-Methyl-1,3-dioxolane is used in method for treating biodegradation of organic chlorine compounds using 1,4-Dioxane-degrading bacterium N23 strain.

Technology Process of 2-Methyl-1,3-dioxolane

There total 46 articles about 2-Methyl-1,3-dioxolane 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: 97.0%

ethylene glycol (107-21-1) + acetaldehyde (75-07-0,9002-91-9) → 2-methyl-1,3-dioxolane (497-26-7)

Guidance literature:

With chloro-trimethyl-silane; at 20 ℃; for 0.416667h;

Reference yield: 67.0%

ethanol (64-17-5) + ethylene glycol (107-21-1) → 2-methyl-1,3-dioxolane (497-26-7)

Guidance literature:

With iron(III) chloride hexahydrate; sodium nitrite; at 50 ℃; for 24h; Temperature; Time; UV-irradiation;

DOI:10.1134/S1070428018110143

Reference yield: 66.0%

2-bromomethyl-1,3-dioxolane (4360-63-8) + ethyl 3-bromobenzoate (24398-88-7) → 2-methyl-1,3-dioxolane (497-26-7) + di(1,3-dioxolan-2-yl)methane (4405-17-8) + benzoic acid ethyl ester (93-89-0,99341-95-4) + ethyl 3-((1,3-dioxolan-2-yl)methyl)benzoate (898776-72-2) + 3,3'-dicarbethoxybiphenyl (303730-26-9)

Guidance literature:

With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI₂*3.5H₂O; sodium iodide; zinc; at 20 - 60 ℃; for 19h; chemoselective reaction;

DOI:10.1021/ja301769r

upstream raw materials:

tetrachloromethane

ethyleneglycol vinyl ether

2-(ethoxyethoxy)-ethanol

vinyl acetate

Downstream raw materials:

2-methyl-5-phenyl-[1,3]dioxolan-4-one

ethene

acetic acid

2-(1-Methylpropoxy)ethanol

Refernces

Stereoselective Alkylierung an C(α) von Serin, Gycerinsaeure, Thereonin und Weinsaeure ueber heterocyclische Enolate mit exocyclischer Doppelbindung

10.1002/hlca.19870700426

The study, titled "Stereoselective Alkylation at C(α) of Serine, Glyceric Acid, Threonine, and Tartaric Acid Involving Heterocyclic Enolates with Exocyclic Double Bonds," investigates the stereoselective alkylation of various chiral, non-racemic α-amino acids and their derivatives using heterocyclic enolates with exocyclic double bonds. The researchers converted these acids into methyl dioxolane, oxazoline, and oxazolidine carboxylates. These compounds were then deprotonated to form lithium enolates, which were stable enough to undergo alkylation with or without cosolvents like HMPA or DMPU. The products were obtained in good to excellent yields and with high diastereoselectivities, except for the tartrate-derived acetonide. The study demonstrated that the configuration of the products could be determined through NOE-NMR measurements and chemical correlation, revealing that the dioxolane-derived enolates were alkylated preferentially from the face already substituted, while the dihydrooxazol- and oxazolidine-derived enolates were alkylated from the opposite face. This work provides a method for constructing quaternary stereogenic centers without racemization, using readily available enantiomerically pure precursors like hydroxy- and amino-acids.

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