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| CAS No.: | 538-86-3 |
|---|---|
| Name: | Benzyl methyl ether |
| Article Data: | 249 |
| Molecular Structure: | |
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|
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| Formula: | C8H10O |
| Molecular Weight: | 122.167 |
| Synonyms: | Ether,benzyl methyl (6CI,8CI);Methyl benzyl ether;NSC 8058;Benzyl methyl ether;1-(Methoxymethyl)benzene;(Methoxymethyl)benzene; |
| EINECS: | 208-705-7 |
| Density: | 0.949 g/cm3 |
| Melting Point: | -52.6 °C |
| Boiling Point: | 174 °C at 760 mmHg |
| Flash Point: | 36.4 °C |
| Solubility: | practically insoluble in water |
| Appearance: | Clear colourless to slightly yellowish liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3271 3/PG 3 |
| PSA: | 9.23000 |
| LogP: | 1.83300 |
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- 38222-83-2
2,6-di-tert-butyl-4-methylpyridine
- 278172-59-1
methyltriphenylbismuthonium tetrafluoroborate
- 100-51-6
benzyl alcohol
A
- 538-86-3
benzyl methyl ether
B
- 160142-36-9
2,6-di-tert-butyl-4-methylpyridinium tetrafluoroborate
C
- 603-33-8
triphenylbismuthane
| Conditions | Yield |
|---|---|
| In chloroform-d1 Kinetics; alcohol was added to mixt. (Ph3BiMe)(BF4) and 2,6-di-tert-butyl-4-methylpyridine in CDCl3 and allowed to react at 23°C for 4-7 h; detn. by NMR; | A 95% B 100% C 100% |
| Conditions | Yield |
|---|---|
| With 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; | 99% |
| With trimethylsilan; trimethylsilyl trifluoromethanesulfonate In dichloromethane 0 deg C, 30 min. then 28 deg C, 13 h.; | 96% |
| With triethylsilane; Nafion-H (perfluororesinsulfonic acid) In dichloromethane for 2h; Heating; | 96% |
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide 1.) 0 deg C, 1 h, 2.) 25 deg C, 24 h; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: benzyl alcohol With potassium carbonate In acetone for 0.25h; Stage #2: dimethyl sulfate In acetone for 15h; Reflux; | 97% |
| With sodium hydroxide; zirconium (benzyldiethylammoniomethylphosphonate chloride) phosphate In ethanol; water; Petroleum ether at 42℃; for 8h; | 80.1% |
| With sodium hydroxide at 40℃; |
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 100-44-7
benzyl chloride
A
- 538-86-3
benzyl methyl ether
B
- 114-70-5
sodium phenylacetate
| Conditions | Yield |
|---|---|
| With sodium hydroxide; dicobalt octacarbonyl at 60 - 65℃; under 760.051 - 2280.15 Torr; | A n/a B 97% |
| Conditions | Yield |
|---|---|
| With Decaborane at 20℃; for 22h; reductive etherification; | 96% |
| With phenyltellurotrimethylsilane; zinc(II) iodide In benzene for 3h; Ambient temperature; | 89 % Chromat. |
| Conditions | Yield |
|---|---|
| With copper(II) bis(tetrafluoroborate) In acetonitrile for 1.5h; Irradiation; | 94% |
- 28493-54-1
benzyltributyltin
- 538-86-3
benzyl methyl ether
| Conditions | Yield |
|---|---|
| With methanol; copper(II) bis(tetrafluoroborate) In acetonitrile Irradiation (UV/VIS); 1.5 h, λ > 200 nm; | 94% |
| Conditions | Yield |
|---|---|
| With copper(ll) bromide at 175℃; for 10h; Inert atmosphere; Sealed tube; | A 93% B 7% |
| With phosphoric acid at 350℃; under 36775.4 Torr; | |
| With Cp*Ir(Cl)2(nBu2Im); silver trifluoromethanesulfonate at 110℃; for 12h; | A 88 %Spectr. B 6 %Spectr. |
| Conditions | Yield |
|---|---|
| With iron(II) sulfate at 75℃; for 12h; | 92% |
| Stage #1: methanol With potassium hydride In tetrahydrofuran at 25℃; for 8h; Metallation; Stage #2: benzyl bromide In tetrahydrofuran Alkylation; | 85% |
| With silver(II) oxide at 0℃; | 82% |
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Specification
The Benzene,(methoxymethyl)-, with the CAS registry number 538-86-3, is also known as Benzyl methyl ether. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 208-705-7. This chemical's molecular formula is C8H10O and molecular weight is 122.16. What's more, both its IUPAC name and systematic name are the same which is called Methoxymethylbenzene. It is clear colourless to slightly yellowish liquid and it is used as solvent and intermediater.
Physical properties about Benzene,(methoxymethyl)- are: (1) ACD/LogP: 1.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.96; (4) ACD/LogD (pH 7.4): 1.96; (5) #H bond acceptors: 1; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 2; (8) Polar Surface Area: Å2; (9) Index of Refraction: 1.495; (10) Molar Refractivity: 37.54 cm3; (11) Molar Volume: 128.6 cm3; (12) Surface Tension: 31 dyne/cm; (13) Density: 0.949 g/cm3; (14)Flash Point: 36.4 °C; (15) Enthalpy of Vaporization: 39.35 kJ/mol; (16) Boiling Point: 174 °C at 760 mmHg; (17) Vapour Pressure: 1.65 mmHg at 25 °C (18) Melting Point: -52.6 °C.
Preparation of Benzene,(methoxymethyl)-: this chemical can be prepared by Bromomethyl-benzene with Methanol. This reaction needs reagent AgO at temperature of 0 °C. The yield is 82 %.
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Uses of Benzene,(methoxymethyl)-: it is used to produce other chemicals. For example, it is used to produce Benzaldehyde. The reaction occurs with reagent HNO3 and solvent CH2Cl2 at temperature of 20 °C for 1 hour. The yield is 83 %.
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When you are dealing with this chemical, you should be very careful. This chemical is flammable. Therefore, you should keep away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: COCc1ccccc1
(2) InChI: InChI=1/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3) InChIKey: GQKZBCPTCWJTAS-UHFFFAOYAD