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Cas Database |
| Name |
1,4-Dioxane-2,3-diol |
EINECS | 225-431-3 |
| CAS No. | 4845-50-5 | Density | 1.455 g/cm3 |
| PSA | 58.92000 | LogP | -1.33000 |
| Solubility | It is soluble in water. | Melting Point |
91-95 °C(lit.) |
| Formula | C4H8O4 | Boiling Point | 259.4 °C at 760 mmHg |
| Molecular Weight | 120.105 | Flash Point | 110.7 °C |
| Transport Information | N/A | Appearance | WHITE TO OFF-WHITE POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS |
| Safety | 22-24/25-36/37/39-26 | Risk Codes | 36-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
p-Dioxane-2,3-diol(7CI,8CI);2,3-Dihydroxy-1,4-dioxane;NSC 57544; |
Article Data | 9 |
1,4-Dioxane-2,3-diol Synthetic route
| Conditions | Yield |
|---|---|
| In water; benzene for 10h; Heating; | 45% |
| With sodium hydroxide; water; sodium carbonate unter vermindertem Druck; | |
| With phosphorus pentoxide unter vermindertem Druck; |
- 4845-50-5
2,3-dihydroxy-1,4-dioxane
| Conditions | Yield |
|---|---|
| With formic acid In ethanol at 65℃; for 48h; Sonication; Inert atmosphere; Schlenk technique; | 98% |
- 4845-50-5
2,3-dihydroxy-1,4-dioxane
- 933-80-2
6-chloro-2-methylpyrimidine -4,5-diamine
- 827031-79-8
4-chloro-2-methylpteridine
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 2h; | 97% |
| In ethanol | |
| In ethanol at 25℃; for 1h; |
- 4845-50-5
2,3-dihydroxy-1,4-dioxane
- 1392489-02-9
tert-Butyl-2-(4-amino-3-nitrophenoxy)ethylcarbamate
- 1392489-03-0
tert-Butyl-2-(quinoxalin-6-yloxy)ethylcarbamate
| Conditions | Yield |
|---|---|
| Stage #1: tert-Butyl-2-(4-amino-3-nitrophenoxy)ethylcarbamate With hydrogen; palladium 10% on activated carbon In ethanol at 20℃; for 6h; Stage #2: 2,3-dihydroxy-1,4-dioxane In ethanol at 20℃; | 97% |
| In ethanol; water |
- 4845-50-5
2,3-dihydroxy-1,4-dioxane
- 36692-49-6
Methyl 3,4-diaminobenzoate
- 23088-23-5
methyl quinoxaline-6-carboxylate
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 90℃; for 8h; Temperature; | 96.7% |
- 4845-50-5
2,3-dihydroxy-1,4-dioxane
- 892505-53-2
5,6-diamino-2-(4,5-bis(propylthio)-1,3-dithiol-2-ylidene)-benzo[d]-1,3-dithiole
- 1602762-36-6
C18H18N2S6
| Conditions | Yield |
|---|---|
| With acetic acid In ethanol Reflux; | 96% |
| Conditions | Yield |
|---|---|
| In ethanol for 0.5h; Ambient temperature; | 95% |
| In ethanol | 95% |
- 4845-50-5
2,3-dihydroxy-1,4-dioxane
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate In isopropyl alcohol for 5h; Reflux; | 94% |
1,4-Dioxane-2,3-diol Specification
This chemical is called 1,4-Dioxane-2,3-diol, and it can also be named as 2,3-Dihydroxy-1,4-dioxane. With the molecular formula of C4H8O4, its molecular weight is 120.10. The CAS registry number of this chemical is 4845-50-5. Additionally, its product categories are Dioxanes; Dioxanes & Dioxolanes.
Other characteristics of the 1,4-Dioxane-2,3-diol can be summarised as followings: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.55; (8)ACD/KOC (pH 7.4): 12.55; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 24.83 cm3; (15)Molar Volume: 82.5 cm3; (16)Polarizability: 9.84×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 110.7 °C; (20)Enthalpy of Vaporization: 57.73 kJ/mol; (21)Boiling Point: 259.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00189 mmHg at 25°C.
Production method of this chemical: The 1,4-Dioxane-2,3-diol could be obtained by the reactants of ethane-1,2-diol and glyoxal. This reaction needs the solvent of H2O, benzene. The yield is 45 %. In addition, this reaction should be taken for 10 hours.
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Uses of this chemical: The 1,4-Dioxane-2,3-diol could react with pyridine-2,3-diamine, and obtain the pyrido[2,3-b]pyrazine. This reaction needs the solvent of ethanol. The yield is 87 %. In addition, this reaction should be taken for 30 minutes. The other condition is ambient temperature.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Do not breathe dust. Avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: OC1OCCOC1O
2.InChI: InChI=1/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2
3.InChIKey: YLVACWCCJCZITJ-UHFFFAOYAB
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