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| CAS No.: | 1462-37-9 |
|---|---|
| Name: | BENZYL 2-BROMOETHYL ETHER |
| Article Data: | 32 |
| Molecular Structure: | |
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|
|
| Formula: | C9H11BrO |
| Molecular Weight: | 215.09 |
| Synonyms: | Ether,benzyl 2-bromoethyl (7CI,8CI);1-(Benzyloxy)-2-bromoethane;1-[(2-Bromoethoxy)methyl]benzene;2-(Benzyloxy)-1-bromoethane;2-(Benzyloxy)ethyl bromide;2-Bromoethyl benzyl ether;2-Bromoethylphenylmethyl ether;[(2-Bromoethoxy)methyl]benzene;1-bromo-2-benzyloxyethane; |
| EINECS: | 629-202-2 |
| Density: | 1.358 g/cm3 |
| Boiling Point: | 258.6 °C at 760 mmHg |
| Flash Point: | 111.7 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 9.23000 |
| LogP: | 2.59810 |
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| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In tetrahydrofuran at 0 - 20℃; | 98% |
| With N-Bromosuccinimide; triphenylphosphine In dichloromethane at -78 - 20℃; Inert atmosphere; Darkness; | 98% |
| With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 20℃; for 13h; | 89% |
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2-bromoethanol
- 1462-37-9
bromoethyl-2-benzyl ether
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In 1,4-dioxane at 20℃; for 5h; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold (I) at 150℃; for 0.5h; Inert atmosphere; Microwave irradiation; | 98% |
| Conditions | Yield |
|---|---|
| With lithium bromide In acetonitrile at 70 - 80℃; for 2.5h; Reagent/catalyst; Solvent; Temperature; | 94.3% |
- 123455-81-2
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A
- 1462-37-9
bromoethyl-2-benzyl ether
| Conditions | Yield |
|---|---|
| With magnesium bromide ethyl etherate In diethyl ether; dichloromethane at 0℃; for 0.5h; | A 94% B n/a |
- 58841-52-4
2-(benzyloxy)ethyl methanesulfonate
- 1462-37-9
bromoethyl-2-benzyl ether
| Conditions | Yield |
|---|---|
| With sodium bromide In dimethyl sulfoxide at 80 - 100℃; for 1h; | 93.5% |
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In 1,4-dioxane at 20℃; for 0.0166667h; Molecular sieve; Inert atmosphere; | 89% |
| Conditions | Yield |
|---|---|
| In hexane; dichloromethane | 85% |
| In N-Bromosuccinimide; hexane; dichloromethane | 85% |
| Conditions | Yield |
|---|---|
| With bromine In acetonitrile at 0℃; for 0.5h; Bromination; | A 77% B n/a |
| Conditions | Yield |
|---|---|
| With pyridine; triphenylphosphine In methanol; dichloromethane; ethyl acetate | 76% |
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Specification
The Benzene,[(2-bromoethoxy)methyl]-, with CAS registry number 1462-37-9, belongs to the following product categories: (1)Protection & Derivatization Reagents (for Synthesis); (2)Synthetic Organic Chemistry; (3)Ethers; (4)Organic Building Blocks; (5)Oxygen Compounds. It has the systematic name of [(2-bromoethoxy)methyl]benzene. This chemical is a kind of clear colorless to pale yellow liquid. And this chemical is harmful if swallowed.
Physical properties of Benzene,[(2-bromoethoxy)methyl]-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.5; (6)ACD/BCF (pH 7.4): 112.5; (7)ACD/KOC (pH 5.5): 1022.91; (8)ACD/KOC (pH 7.4): 1022.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 49.91 cm3; (15)Molar Volume: 158.3 cm3; (16)Polarizability: 19.78×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 111.7 °C; (20)Enthalpy of Vaporization: 47.62 kJ/mol; (21)Boiling Point: 258.6 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-benzyloxy-ethanol. This reaction will need reagents NBS, PPh3 and solvent CH2Cl2. The reaction time is 13 hour(s) with reaction temperature of 20 ℃. The yield is about 89%.
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You can still convert the following datas into molecular structure:
(1)SMILES: BrCCOCc1ccccc1
(2)InChI: InChI=1/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
(3)InChIKey: FWOHDAGPWDEWIB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
(5)Std. InChIKey: FWOHDAGPWDEWIB-UHFFFAOYSA-N