1,4-Dioxane-2,3-diol

Base Information

• Chemical Name: 1,4-Dioxane-2,3-diol
• CAS No.: 4845-50-5
• Molecular Formula: C4H8O4
• Molecular Weight: 120.105
• Hs Code.: 2934999090
• European Community (EC) Number: 225-431-3
• NSC Number: 57544
• DSSTox Substance ID: DTXSID1038824
• Nikkaji Number: J39.117D
• ChEMBL ID: CHEMBL3181831
• Mol file: 4845-50-5.mol

Synonyms:1,4-Dioxane-2,3-diol;4845-50-5;2,3-Dihydroxy-1,4-dioxane;p-Dioxane-2,3-diol;2,3-Dihydroxy-1,4-dioxan;UNII-3PYY0W5672;DTXSID1038824;EINECS 225-431-3;MFCD00006572;NSC 57544;trans-1,4-Dioxane-2,3-diol;Dioxanediol;NSC57544;1,3-diol;1,4dioxane-2,3-diol;SCHEMBL36220;CHEMBL3181831;DTXCID9018824;3PYY0W5672;STR04115;Tox21_301406;BBL104369;NSC-57544;STL558621;AKOS001037800;AKOS016844197;trans-1,4-Dioxane-2,3-diol, 98%;NCGC00255657-01;CAS-4845-50-5;D2066;FT-0606898;EN300-7113635;A871918;AQ-405/40002464;F0001-1270;2,3-Dihydroxy-1,4-dioxane~Glyoxal monoethylene acetal;96%

Chemical Property of 1,4-Dioxane-2,3-diol

Chemical Property:

• Appearance/Colour: WHITE TO OFF-WHITE POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 0.00189mmHg at 25°C
• Melting Point: 91-95 °C(lit.)
• Refractive Index: 1.513
• Boiling Point: 259.4 °C at 760 mmHg
• PKA: 11.72±0.40(Predicted)
• Flash Point: 110.7 °C
• PSA: 58.92000
• Density: 1.455 g/cm³
• LogP: -1.33000
• Water Solubility.: It is soluble in water.
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 120.04225873
• Heavy Atom Count: 8
• Complexity: 64.4

Purity/Quality:

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

1,4-Dioxane-2,3-diol >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-36/37/38
• Safety Statements: 22-24/25-36/37/39-26

MSDS Files:

Useful:

• Canonical SMILES: C1COC(C(O1)O)O
• Uses: 1,4-Dioxane-2,3-diol is used as a pharmaceutical intermediate and an intermediate in organic synthesis.

Technology Process of 1,4-Dioxane-2,3-diol

There total 5 articles about 1,4-Dioxane-2,3-diol 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: 45.0%

Glyoxal (131543-46-9,107-22-2) + ethylene glycol (107-21-1) → 2,3-dihydroxy-1,4-dioxane (4845-50-5)

Guidance literature:

In water; benzene; for 10h; Heating;

DOI:10.1055/s-1982-29701

Reference yield:

Glyoxal (131543-46-9,107-22-2) + water (7732-18-5) + ethylene glycol (107-21-1) → 2,3-dihydroxy-1,4-dioxane (4845-50-5)

Guidance literature:

Reference yield:

Glyoxal (131543-46-9,107-22-2) + water (7732-18-5) + ethylene glycol (107-21-1) → 2,3-dihydroxy-1,4-dioxane (4845-50-5)

Guidance literature:

upstream raw materials:

Glyoxal

ethylene glycol

water

glyoxal bis-hydrate

Downstream raw materials:

5-azaquinoxaline

4-methylthiopteridine

2,5-bis-(4-bromo-benzoyl)-thiophene

3-(3-nitrophenyl)-1,2,4-triazine

Refernces

• 1、 -. "Treatment of neurodegenerative diseases". . . Retrieved 2008/06/13.
• 2、 Sangsari, Farid Hamedi,Chastrette, Francine,Chastrette, Maurice,Blanc, Alain,Mattioda, Georges. "The acetalization of glyoxal by vicinal diols". . p. 15 - 20. Retrieved 2007/10/02.