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CAS No.: | 4845-50-5 |
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Name: | 1,4-Dioxane-2,3-diol |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4H8O4 |
Molecular Weight: | 120.105 |
Synonyms: | p-Dioxane-2,3-diol(7CI,8CI);2,3-Dihydroxy-1,4-dioxane;NSC 57544; |
EINECS: | 225-431-3 |
Density: | 1.455 g/cm3 |
Melting Point: | 91-95 °C(lit.) |
Boiling Point: | 259.4 °C at 760 mmHg |
Flash Point: | 110.7 °C |
Solubility: | It is soluble in water. |
Appearance: | WHITE TO OFF-WHITE POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS |
Hazard Symbols: | Xi |
Risk Codes: | 36-36/37/38 |
Safety: | 22-24/25-36/37/39-26 |
PSA: | 58.92000 |
LogP: | -1.33000 |
Conditions | Yield |
---|---|
In water; benzene for 10h; Heating; | 45% |
With sodium hydroxide; water; sodium carbonate unter vermindertem Druck; | |
With phosphorus pentoxide unter vermindertem Druck; |
2,3-dihydroxy-1,4-dioxane
Conditions | Yield |
---|---|
With formic acid In ethanol at 65℃; for 48h; Sonication; Inert atmosphere; Schlenk technique; | 98% |
2,3-dihydroxy-1,4-dioxane
6-chloro-2-methylpyrimidine -4,5-diamine
4-chloro-2-methylpteridine
Conditions | Yield |
---|---|
In ethanol at 20℃; for 2h; | 97% |
In ethanol | |
In ethanol at 25℃; for 1h; |
2,3-dihydroxy-1,4-dioxane
tert-Butyl-2-(4-amino-3-nitrophenoxy)ethylcarbamate
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 |
2,3-dihydroxy-1,4-dioxane
Methyl 3,4-diaminobenzoate
methyl quinoxaline-6-carboxylate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 90℃; for 8h; Temperature; | 96.7% |
2,3-dihydroxy-1,4-dioxane
5,6-diamino-2-(4,5-bis(propylthio)-1,3-dithiol-2-ylidene)-benzo[d]-1,3-dithiole
C18H18N2S6
Conditions | Yield |
---|---|
With acetic acid In ethanol Reflux; | 96% |
Conditions | Yield |
---|---|
In ethanol for 0.5h; Ambient temperature; | 95% |
In ethanol | 95% |
2,3-dihydroxy-1,4-dioxane
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In isopropyl alcohol for 5h; Reflux; | 94% |
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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.
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.
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