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| CAS No.: | 2425-41-4 |
|---|---|
| Name: | 5,5-BIS(HYDROXYMETHYL)-2-PHENYL-1,3-DIOXANE |
| Molecular Structure: | |
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| Formula: | C12H16 O4 |
| Molecular Weight: | 224.257 |
| Synonyms: | m-Dioxane-5,5-dimethanol,2-phenyl- (6CI,7CI,8CI); 2-Phenyl-1,3-dioxane-5,5-dimethanol;5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane; Benzaldehyde monopentaerythritolacetal; NSC 48280 |
| Density: | 1.19g/cm3 |
| Melting Point: | 135 °C |
| Boiling Point: | 391°Cat760mmHg |
| Flash Point: | 190.3°C |
| Safety: | Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 58.92000 |
| LogP: | 0.70300 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 40℃; for 6h; | 81% |
| With hydrogenchloride In water at 20℃; for 5h; Temperature; | 80% |
| With hydrogenchloride In water at 20℃; for 3h; | 80% |
- 115-77-5
Pentaerythritol
- 100-52-7
benzaldehyde
A
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
B
- 2064-95-1
3,9-diphenyl-2,4,8,10-tetraoxa-spiro[5,5]undecane
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 25℃; | A 68% B n/a |
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
- 131525-58-1
3,4-didodecyloxybenzoic acid
- 1235584-42-5
(2-phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(3,4-bis(dodecyloxy)benzoate)
| Conditions | Yield |
|---|---|
| With S-phenyl 4-methoxybenzenesulfinothioate; dicyclohexyl-carbodiimide In dichloromethane at 25℃; for 12h; Inert atmosphere; | 98% |
| With dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate In dichloromethane at 20℃; for 12h; Inert atmosphere; | 98% |
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
- 123126-40-9
3,5-didodecyloxybenzoic acid
- 1235584-43-6
(2-phenyl-1,3-dioxane-5,5-diyl)bis(methylene) bis(3,5-bis(dodecyloxy)benzoate)
| Conditions | Yield |
|---|---|
| With S-phenyl 4-methoxybenzenesulfinothioate; dicyclohexyl-carbodiimide In dichloromethane at 25℃; for 12h; Inert atmosphere; | 97% |
| With dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate In dichloromethane at 20℃; for 12h; Inert atmosphere; | 97% |
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
- 16837-14-2
2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate In dichloromethane at 20℃; for 20h; | 96.5% |
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
- 111-83-1
1-bromo-octane
- 1191028-17-7
5,5'-bis(octyloxymethyl)-2-phenyl-1,3-dioxane
| Conditions | Yield |
|---|---|
| Stage #1: 5,5-dihydroxymethyl-2-phenyl-1,3-dioxane With sodium hydride In N,N-dimethyl-formamide; mineral oil Inert atmosphere; Cooling with ice; Stage #2: 1-bromo-octane In N,N-dimethyl-formamide; mineral oil for 26h; | 93% |
| Stage #1: 5,5-dihydroxymethyl-2-phenyl-1,3-dioxane With sodium hydride In N,N-dimethyl-formamide Williamson synthesis; Inert atmosphere; Cooling with ice; Stage #2: 1-bromo-octane In N,N-dimethyl-formamide Cooling with ice; | 85% |
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide; toluene at 20℃; for 4h; | 92% |
| Stage #1: 5,5-dihydroxymethyl-2-phenyl-1,3-dioxane With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: propargyl bromide In tetrahydrofuran at 0 - 40℃; | 89.5% |
| Stage #1: 5,5-dihydroxymethyl-2-phenyl-1,3-dioxane With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: propargyl bromide In tetrahydrofuran; mineral oil at 0 - 40℃; | 89.5% |
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
- 77-78-1
dimethyl sulfate
- 2209-91-8
5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
| Conditions | Yield |
|---|---|
| Stage #1: 5,5-dihydroxymethyl-2-phenyl-1,3-dioxane With sodium hydride In tetrahydrofuran at 25 - 30℃; for 2h; Stage #2: dimethyl sulfate In tetrahydrofuran at 0 - 20℃; for 8h; Reflux; | 92% |
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
- 74-88-4
methyl iodide
- 2209-91-8
5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran at 20℃; Methylation; | 91% |
| With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; | 82% |
- 2425-41-4
5,5-dihydroxymethyl-2-phenyl-1,3-dioxane
- 408322-03-2
2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride
| Conditions | Yield |
|---|---|
| With pyridine; dmap In dichloromethane at 20℃; | 90% |
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Chemistry
Chemistry informtion about 5,5-Bis(Hydroxymethyl)-2-Phenyl-1,3-Dioxane (2425-41-4) is:
IUPAC Name: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
Synonyms: 2-Phenyl-M-Dioxane-5,5-Dimethanol;2-Phenyl-M-Dioxane-5-Dimethanol ; 5,5-Bis(Hydroxymethyl)-2-Phenyl-1,3-Dioxane ; 2-Phenyl-1,3-Dioxane-5,5-Dimethanol ; O,O'-Benzylidenepentaerythritol ; Monobenzalpentaerythritol ; Nsc 48280
MF: C12H16O4
MW: 224.25
Melting Point: 135 °C
Density: 1.19 g/cm3
Flash Point: 190.3 °C
Boiling Point: 391 °C at 760 mmHg
Enthalpy of Vaporization: 67.56 kJ/mol
Vapour Pressure: 8.15E-07 mmHg at 25°C
Following is the molecular structure of 5,5-Bis(Hydroxymethyl)-2-Phenyl-1,3-Dioxane (2425-41-4) is:
Toxicity Data With Reference
| 1. | ipr-rat LD50:103 mg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 10 (1962),925. | ||
| 2. | ipr-mus LD50:98 mg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 10 (1962),925. | ||
| 3. | scu-mus LD50:127 mg/kg | AITEAT Archivum Immunologiae et Therapiae Experimentalis. 10 (1962),925. |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
RTECS: JH0300000