1,3-Dioxolane

Base Information

• Chemical Name: 1,3-Dioxolane
• CAS No.: 646-06-0
• Molecular Formula: C3H6O2
• Molecular Weight: 74.0794
• Hs Code.: 29329970
• European Community (EC) Number: 211-463-5
• UN Number: 1166
• UNII: Y57RBG19JL
• DSSTox Substance ID: DTXSID4027284
• Nikkaji Number: J1.719A
• Wikipedia: Dioxolane
• Wikidata: Q2234483
• Metabolomics Workbench ID: 130670
• ChEMBL ID: CHEMBL3187281
• Mol file: 646-06-0.mol

Synonyms:1,3-dioxolane;dioxolane;formal glycol

Chemical Property of 1,3-Dioxolane

Chemical Property:

• Appearance/Colour: Colourless liquid
• Vapor Pressure: 70 mm Hg ( 20 °C)
• Melting Point: -95 °C(lit.)
• Refractive Index: 1.4005
• Boiling Point: 75.6 °C at 760 mmHg
• Flash Point: 1.7 °C
• PSA: 18.46000
• Density: 1.046 g/cm³
• LogP: -0.00930
• Storage Temp.: Refrigerator
• Solubility.: 1000g/l soluble
• Water Solubility.: SOLUBLE
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 74.036779430
• Heavy Atom Count: 5
• Complexity: 24.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dioxolane (stabilized with BHT) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ethers (
• Canonical SMILES: C1COCO1
• Uses: 1,3-Dioxolane is an intermediate for the preparation of Acyclovir (A192400). Also, 1,3-Dioxolane is used in the synthesis of new Vandetanib (V097100) analogs.

Technology Process of 1,3-Dioxolane

There total 32 articles about 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: 95.4%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethanol (64-17-5) → 1,3-DIOXOLANE (646-06-0)

Guidance literature:

With C₁₃H₂₂N₄O₆S₂⁽²⁺⁾*2CF₃O₃S^(1-); In water; at 130 ℃; for 2h; Reagent/catalyst;

Reference yield: 94.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethylene glycol (107-21-1) → 1,3-DIOXOLANE (646-06-0)

Guidance literature:

at 60 - 95 ℃; for 3h; Concentration; Temperature;

Reference yield: 85.0%

ethylene glycol (107-21-1) → 1,3-DIOXOLANE (646-06-0)

Guidance literature:

With sulfur dioxide; at 105 - 164 ℃; for 4h;

upstream raw materials:

oxirane

formaldehyd

ethylene glycol

[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide

Downstream raw materials:

2-(methoxymethoxy)ethanol

1,3,5-trioxepane

1,2-bis-methoxymethoxy-ethane

2-acetoxyethyl acetoxymethyl ether

Refernces

• 1、 -. "Biomass alcoholysis method for petroleum-based plastic POM". Paragraph 0030-0051. . Retrieved 2021/05/01.
• 2、 -. "A method for preparing 1, 3 - oxa naphthenic (by machine translation)". Paragraph 0085; 0086-0090. . Retrieved 2019/05/16.