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Cas Database |
| Name |
Oxetane,3,3-bis(bromomethyl)- |
EINECS | N/A |
| CAS No. | 2402-83-7 | Density | 1.891 g/cm3 |
| PSA | 9.23000 | LogP | 1.79280 |
| Solubility | N/A | Melting Point |
25℃ |
| Formula | C5H8Br2O | Boiling Point | 249.4 °C at 760 mmHg |
| Molecular Weight | 243.926 | Flash Point | 98 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 34 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
3,3-Bis(bromomethyl)oxetane;BBMO;NSC 281665; |
Article Data | 15 |
Oxetane,3,3-bis(bromomethyl)- Synthetic route
| Conditions | Yield |
|---|---|
| decompn. at 160°C (0.5 h); | A 94% B n/a |
| decompn. at 160°C (0.5 h); | A 94% B n/a |
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol at 20 - 76℃; for 3.16667h; | 85% |
| With sodium ethanolate In ethanol at 80℃; for 2.5h; | 62% |
| With potassium hydroxide | |
| With potassium hydroxide | |
| With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In water; toluene at 23℃; for 23h; Inert atmosphere; Industrial scale; |
| Conditions | Yield |
|---|---|
| With alkaline solution |
- 1522-92-5
2,2-bis(bromomethyl)-3-bromo-propan-1-ol
A
- 174-79-8
2,6-Dioxa-spiro<3.3>heptan
B
- 2402-83-7
3,3-bis(bromomethyl)oxetane
C
- 22633-44-9
[3-(bromomethyl)oxetan-3-yl]methanol
| Conditions | Yield |
|---|---|
| In water at 70℃; pH=7.06; Kinetics; Further Variations:; Temperatures; pH-values; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: HBr 2: ethanolic KOH-solution View Scheme | |
| Stage #1: Pentaerythritol With sulfuric acid; hydrogen bromide; acetic acid In water for 10h; Reflux; Stage #2: With tetrabutylammomium bromide; sodium hydroxide In water at 60℃; for 1h; |
- 2402-83-7
3,3-bis(bromomethyl)oxetane
- 17607-20-4
3,3-bis(azidomethyl)-oxetane
| Conditions | Yield |
|---|---|
| With sodium azide; tetrabutylammomium bromide In water for 2h; Heating; | 92% |
| With sodium azide; tetrabutylammomium bromide In water at 70℃; | |
| With sodium azide; tetrabutylammomium bromide In water at 70℃; |
- 2402-83-7
3,3-bis(bromomethyl)oxetane
- 288-13-1
NH-pyrazole
- 208105-64-0
3,3-bis(pyrazol-1-ylmethyl)oxetane
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran for 12h; Heating; | 90% |
| Conditions | Yield |
|---|---|
| Stage #1: octreotide With tris(2-carboxyethyl)phosphine; potassium carbonate In water at 20℃; for 1h; Stage #2: 3,3-bis(bromomethyl)oxetane In water; N,N-dimethyl-formamide for 12h; | 81% |
- 2402-83-7
3,3-bis(bromomethyl)oxetane
| Conditions | Yield |
|---|---|
| With caesium carbonate In acetonitrile at 70℃; for 2.5h; Sealed tube; | 81% |
| Conditions | Yield |
|---|---|
| In chloroform for 3h; Irradiation; | 79% |
Oxetane,3,3-bis(bromomethyl)- Specification
The Oxetane,3,3-bis(bromomethyl)-, with the CAS registry number 2402-83-7, is also known as 3,3-Di(bromomethyl) oxetane. This chemical's molecular formula is C5H8Br2O and molecular weight is 243.92442. Its IUPAC name is called 3,3-bis(bromomethyl)oxetane.
Physical properties of Oxetane,3,3-bis(bromomethyl)-: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 7.91; (5)ACD/BCF (pH 7.4): 7.91; (6)ACD/KOC (pH 5.5): 152.91; (7)ACD/KOC (pH 7.4): 152.91; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.535; (11)Molar Refractivity: 40.19 cm3; (12)Molar Volume: 128.9 cm3; (13)Surface Tension: 49.5 dyne/cm; (14)Density: 1.891 g/cm3; (15)Flash Point: 98 °C; (16)Enthalpy of Vaporization: 46.7 kJ/mol; (17)Boiling Point: 249.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0363 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(CO1)(CBr)CBr
(2)InChI: InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2
(3)InChIKey: QOPMHMFIIMJWET-UHFFFAOYSA-N
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