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| CAS No.: | 25245-34-5 |
|---|---|
| Name: | 1-Bromo-2,5-dimethoxybenzene |
| Article Data: | 61 |
| Molecular Structure: | |
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|
|
| Formula: | C8H9BrO2 |
| Molecular Weight: | 217.062 |
| Synonyms: | 2,5-Dimethoxyphenyl bromide;2-Bromo-1,4-dimethoxybenzene;2-Bromo-4-methoxyanisole;NSC 159052; |
| EINECS: | 246-756-7 |
| Density: | 1.412 g/cm3 |
| Boiling Point: | 269.6 °C at 760 mmHg |
| Flash Point: | 106 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Clear colorless to yellowish liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 18.46000 |
| LogP: | 2.46630 |
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- 852475-26-4MC1568
- 150-78-7
1,4-dimethoxybezene
- 25245-34-5
1-bromo-2,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| With (CH3)4Br In liquid sulphur dioxide at -23℃; Rate constant; | 100% |
| With (CH3)4Br In liquid sulphur dioxide at -23℃; | 100% |
| With Selectfluor; sodium bromide In acetonitrile at 20℃; for 113h; | 100% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 20℃; Inert atmosphere; Cooling with ice; | 97.9% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-4-methoxyphenol With potassium carbonate In acetone at 20℃; for 0.166667h; Stage #2: dimethyl sulfate In acetone at 20℃; for 12h; | 97% |
| Conditions | Yield |
|---|---|
| With sodium hydride | 83% |
- 107099-99-0
2,5-dimethoxyphenylboronic acid
- 25245-34-5
1-bromo-2,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; copper(ll) bromide In water at 100℃; Sealed tube; | 78% |
- 25245-34-5
1-bromo-2,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction; | 72% |
| With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction; | 72% |
| Conditions | Yield |
|---|---|
| With alkali |
- 150-78-7
1,4-dimethoxybezene
A
- 2674-34-2
1,4-dibromo-2,5-dimethoxybenzene
B
- 25245-34-5
1-bromo-2,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| With phosphorus pentabromide Erwaermen auf dem Dampfbad; | |
| With hydrogenchloride; potassium nitrate; sodium bromide In diethyl ether; water at 25℃; for 4h; Time; |
- 7789-69-7
phosphorus pentabromide
- 150-78-7
1,4-dimethoxybezene
A
- 2674-34-2
1,4-dibromo-2,5-dimethoxybenzene
B
- 25245-34-5
1-bromo-2,5-dimethoxybenzene
- 150-76-5
4-methoxy-phenol
- 25245-34-5
1-bromo-2,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: N-Bromosuccinimide / acetonitrile / 3 h / 0 - 20 °C 2.1: potassium carbonate / acetone / 0.17 h / 20 °C 2.2: 12 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: bromine / dichloromethane / 2 h / Cooling with ice 2: potassium carbonate / acetone / 20 °C / Inert atmosphere; Cooling with ice View Scheme |
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Specification
The Benzene,2-bromo-1,4-dimethoxy-, with the CAS registry number 25245-34-5, is also known as 2,5-Dimethoxybromobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Benzene derivates; API intermediates; Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 246-756-7. This chemical's molecular formula is C8H9BrO2 and formula weight is 217.06. What's more, its IUPAC name is 2-bromo-1,4-dimethoxybenzene. Its classification codes are: (1)TSCA Flag P; (2)TSCA Flag S.
Physical properties of Benzene,2-bromo-1,4-dimethoxy- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/BCF (pH 5.5): 77.8; (5)ACD/KOC (pH 5.5): 785.53; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 18.46 Å2; (10)Index of Refraction: 1.527; (11)Molar Refractivity: 47.3 cm3; (12)Molar Volume: 153.6 cm3; (13)Surface Tension: 34 dyne/cm; (14)Density: 1.412 g/cm3; (15)Flash Point: 106 °C; (16)Enthalpy of Vaporization: 48.73 kJ/mol; (17)Boiling Point: 269.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0119 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,4-dimethoxy-benzene by heating. This reaction will need reagent Br2 and solvent acetic acid with the reaction time of 1 hour. It is a reaction of bromination. The yield is about 90%.
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Uses of Benzene,2-bromo-1,4-dimethoxy-: it can be used to produce 1-bromo-2,5-dimethoxy-4-nitro-benzene at the ambient temperature. It will need reagent cerium ammonium nitrate coated on silica and solvent CH2Cl2 with the reaction time of 15 min. The yield is about 87%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)OC)Br
(2)InChI: InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
(3)InChIKey: DWCGNRKFLRLWCJ-UHFFFAOYSA-N