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| CAS No.: | 33884-43-4 |
|---|---|
| Name: | 2-(2-Bromoethyl)-1,3-dioxane |
| Article Data: | 14 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H11BrO2 |
| Molecular Weight: | 195.056 |
| Synonyms: | m-Dioxane,2-(2-bromoethyl)- (8CI);2-(1,3-Dioxan-2-yl)ethyl bromide;2-(b-Bromoethyl)-1,3-dioxane;3,3-(Trimethylenedioxy)propyl bromide; |
| EINECS: | 251-716-7 |
| Density: | 1.4 g/cm3 |
| Melting Point: | 157-161 °C |
| Boiling Point: | 221.1 °C at 760 mmHg |
| Flash Point: | 96.7 °C |
| Solubility: | It is not soluble in water but soluble in organic solvent such as ethanol. |
| Appearance: | Colorless transparent liquid |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 18.46000 |
| LogP: | 1.53440 |
- 33889-68-816H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol,3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-4,17-dimethyl-, (4aS,16aR)-(9CI)
- 33889-69-94H-1-Benzopyran-4-one,2-[(2R,3S)-2,3-dihydro-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-benzofuranyl]-2,3-dihydro-3,5,7-trihydroxy-,(2R,3R)-
- 33890-03-84-Aminoisophthalic acid
- 3389-21-71H-Indole, 3-(2-bromoethyl)-
- 33892-75-01(2H)-Naphthalenone,3,4-dihydro-5-methoxy-
- 3389-35-39H-Purine,6-[(methylthio)methyl]-
- 33893-89-95-(2-Pyridyl)-1H-tetrazole
- 338-95-4Pregna-1,4-diene-3,20-dione,9-fluoro-11,17,21-trihydroxy-, (11b)-
- 338954-49-7Ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
- 338954-51-1Ethyl 4-chloro-5,8-dimethylquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| With hydrogen bromide In 1,4-dioxane at 5 - 20℃; for 0.5h; | 83% |
| With hydrogen bromide for 1h; Ambient temperature; | 74% |
| With hydrogen bromide at 5 - 10℃; | 50% |
- 79148-55-3
2-(2-iodethyl)-[1,3]dioxane
- 106-93-4
ethylene dibromide
- 33884-43-4
2-(2-Bromoethyl)-1,3-dioxane
| Conditions | Yield |
|---|---|
| With tert.-butyl lithium 1) diethylether, -78 deg C, 5 min, r.t., 1h ; 2) -78 deg C; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In dichloromethane Ambient temperature; Yield given; | |
| With toluene-4-sulfonic acid In dichloromethane at 20℃; for 8h; Inert atmosphere; | 252 g |
- 33884-43-4
2-(2-Bromoethyl)-1,3-dioxane
- 3406-02-8
bis(phenylsulfonyl)methane
- 110210-30-5
5-(3,3-Bis-benzenesulfonyl-propyl)-[1,3]dioxane
| Conditions | Yield |
|---|---|
| tetrabutylammomium bromide In sodium hydroxide at 25 - 30℃; for 3h; | 100% |
- 33884-43-4
2-(2-Bromoethyl)-1,3-dioxane
- 220315-19-5
(R,E)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
| Conditions | Yield |
|---|---|
| Stage #1: 2-(2-Bromoethyl)-1,3-dioxane With iodine; magnesium In tetrahydrofuran at 20℃; for 1h; Stage #2: (R,E)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide In tetrahydrofuran at -48℃; for 12h; Grignard addition; | 100% |
- 33884-43-4
2-(2-Bromoethyl)-1,3-dioxane
| Conditions | Yield |
|---|---|
| Stage #1: 2-(2-Bromoethyl)-1,3-dioxane With magnesium In tetrahydrofuran at 20 - 50℃; for 1h; Inert atmosphere; Stage #2: (R)-N-[(1Z)-[5-fluoro-2-(methylsulfanyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide In tetrahydrofuran at -50 - 20℃; for 1h; Inert atmosphere; | 100% |
| Stage #1: 2-(2-Bromoethyl)-1,3-dioxane With magnesium In tetrahydrofuran at 20 - 50℃; for 1h; Inert atmosphere; Stage #2: (R)-N-[(1Z)-[5-fluoro-2-(methylsulfanyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide In tetrahydrofuran at -50 - 20℃; | 100% |
| Stage #1: 2-(2-Bromoethyl)-1,3-dioxane With magnesium In tetrahydrofuran at 20 - 50℃; for 1h; Inert atmosphere; Stage #2: (R)-N-[(1Z)-[5-fluoro-2-(methylsulfanyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide In tetrahydrofuran at -50 - 20℃; for 1h; Inert atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With [((Me)NN2)NiCl] In tetrahydrofuran; ISOPROPYLAMIDE at -35 - 20℃; Inert atmosphere; | 99% |
| With buta-1,3-diene; nickel dichloride In tetrahydrofuran at -78 - 0℃; for 1h; Inert atmosphere; | 86% |
| With 1-Phenylprop-1-yne; copper In tetrahydrofuran at 25℃; for 3h; Schlenk technique; Glovebox; | 74% |
| With buta-1,3-diene; copper dichloride In tetrahydrofuran at 25℃; for 24h; Schlenk technique; Inert atmosphere; | 73 %Chromat. |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; Inert atmosphere; Reflux; | 99% |
- 33884-43-4
2-(2-Bromoethyl)-1,3-dioxane
| Conditions | Yield |
|---|---|
| Stage #1: 2-(2-Bromoethyl)-1,3-dioxane With iodine; magnesium In tetrahydrofuran at 20 - 50℃; for 1.5h; Inert atmosphere; Stage #2: (R)-N-[(1Z)-[3-fluoro-5-(methylsulfanyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide In tetrahydrofuran at -70 - 20℃; for 2h; | 99% |
| Conditions | Yield |
|---|---|
| With magnesium | 98% |
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Specification
The 2-(2-Bromoethyl)-1,3-dioxane, with the CAS registry number 33884-43-4 and EINECS registry number 251-716-7, belongs to the following product categories: Aliphatics; Halides; Dioxanes; Dioxanes & Dioxolanes. It should be stored at 2-8°C. And the molecular formula of the chemical is C6H11BrO2.
The characteristics of 2-(2-Bromoethyl)-1,3-dioxane are as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.62; (6)ACD/BCF (pH 7.4): 2.62; (7)ACD/KOC (pH 5.5): 69.36; (8)ACD/KOC (pH 7.4): 69.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 38.71 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 15.34×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 96.7 °C; (20)Enthalpy of Vaporization: 43.89 kJ/mol; (21)Boiling Point: 221.1 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.
Preparation of 2-(2-Bromoethyl)-1,3-dioxane: This chemical can be prepared by propenal and propane-1,3-diol. The reaction will need reagent HBr. The reaction time is 1 hour with ambient temperature, and the yield is about 74%.
Uses of 2-(2-Bromoethyl)-1,3-dioxane: It can react with [1,3]dithiane to produce 2-(1,3-Dioxan-2-yl)-1-(1,3-dithianyl)ethane. This reaction will need reagent HMPT, and the menstruum tetrahydrofuran. The yield is about 86%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCC1OCCCO1
(2)InChI: InChI=1/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
(3)InChIKey: WMDHQEHPOVOEOG-UHFFFAOYAA