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Cas Database |
| Name |
2-Bromo-4,5-dimethoxybenzyl bromide |
EINECS | N/A |
| CAS No. | 53207-00-4 | Density | 1.693g/cm3 |
| PSA | 18.46000 | LogP | 3.36120 |
| Solubility | N/A | Melting Point |
84.0-85.5 °C |
| Formula | C9H10Br2O2 | Boiling Point | 320.637 °C at 760 mmHg |
| Molecular Weight | 309.985 | Flash Point | 129.614 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzene, 1-bromo-2-(bromomethyl)-4,5-dimethoxy-;5-Bromo-4-(bromomethyl)-1,2-dimethoxybenzene; |
Article Data | 20 |
2-Bromo-4,5-dimethoxybenzyl bromide Synthetic route
- 93-03-8
(3,4-dimethoxyphenyl)methanol
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| With bromine In acetic acid at 20℃; for 1h; | 100% |
| With bromine; acetic acid at 25℃; | 95% |
| With bromine; acetic acid at 0 - 20℃; | 95% |
- 494-99-5
1,2-dimethoxy-4-methylbenzene
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| Stage #1: 1,2-dimethoxy-4-methylbenzene With sodium bromate; sodium bromide In tetrachloromethane Reflux; Stage #2: With sulfuric acid In tetrachloromethane; water for 2.5h; Stage #3: With 2,2'-azobis-(2,4-dimethylvaleronitrile); sulfuric acid In tetrachloromethane; water for 6h; Reflux; | 85% |
- 54370-00-2
2-bromo-4,5-dimethoxybenzyl alcohol
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| With pyridine; phosphorus tribromide In chloroform at 0 - 20℃; | 81% |
| With carbon tetrabromide; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 20h; | 39% |
| With phosphorus tribromide |
- 5392-10-9
2-bromo-4,5-dimethoxybenzaldehyde
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaBH4 2: NBS; Ph3P View Scheme | |
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate / dichloromethane / 0.5 h / 20 °C 2: phosphorus tribromide / dichloromethane / 0.5 h / 0 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate; methanol / 2.5 h / 0 °C 2: phosphorus tribromide / dichloromethane / 0.75 h / 0 - 5 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate / methanol / 1 h / 0 - 20 °C 2: pyridine; phosphorus tribromide / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere View Scheme |
- 120-14-9
3,4-dimethoxy-benzaldehyde
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: Br2 / methanol 2: NaBH4 3: NBS; Ph3P View Scheme | |
| Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate; methanol / 0.33 h / 0 °C 2.1: acetic acid / 0.5 h / 0 °C 2.2: 0 - 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate; methanol / 8 h / 20 °C 2: acetic acid; bromine / 0.83 h / 20 °C View Scheme |
- 52806-46-9
1-bromo-4,5-dimethoxy-2-methylbenzene
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In tetrachloromethane at 20℃; for 6h; Wohl-Ziegler Bromination; Irradiation; |
- 6286-46-0
2-bromo-4,5-dimethoxybenzoic acid
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 31 h / 0 - 20 °C / Inert atmosphere 2: carbon tetrabromide; triphenylphosphine / tetrahydrofuran / 20 h / 0 - 20 °C View Scheme |
- 120-72-9
indole
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
- 1314797-89-1
1-(2-bromo-4,5-dimethoxybenzyl)-1H-indole
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide | 100% |
| Stage #1: indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 1h; Inert atmosphere; Stage #2: 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene In N,N-dimethyl-formamide; mineral oil Inert atmosphere; | 75% |
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
- 5961-59-1
N-methyl-N-(4-methoxyphenyl)amine
- 1394134-51-0
N-(2-bromo-4,5-dimethoxybenzyl)-4-methoxy-N-methylaniline
| Conditions | Yield |
|---|---|
| Stage #1: N-methyl-N-(4-methoxyphenyl)amine With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene In N,N-dimethyl-formamide at 0 - 20℃; for 2h; | 99% |
- 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
- 105-56-6
ethyl 2-cyanoacetate
| Conditions | Yield |
|---|---|
| Stage #1: ethyl 2-cyanoacetate With potassium carbonate In acetonitrile at 20℃; for 0.5h; Stage #2: 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene In acetonitrile at 20℃; Stage #3: With sodium tetrahydroborate In ethanol at 0 - 20℃; for 12h; | 97% |
2-Bromo-4,5-dimethoxybenzyl bromide Specification
The 2-Bromo-4,5-dimethoxybenzyl bromide, with the CAS registry number 53207-00-4, is also known as Benzene, 1-bromo-2-(bromomethyl)-4,5-dimethoxy- and 5-Bromo-4-(bromomethyl)-1,2-dimethoxybenzene. This chemical's molecular formula is C9H10Br2O2 and molecular weight is 309.9825. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-2-(bromomethyl)-4,5-dimethoxybenzene.
Physical properties about 2-Bromo-4,5-dimethoxybenzyl bromide are: (1)ACD/LogP: 3.29; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 461; (6)ACD/BCF (pH 7.4): 461; (7)ACD/KOC (pH 5.5): 2808; (8)ACD/KOC (pH 7.4): 2808; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 59.948 cm3; (15)Molar Volume: 183.115 cm3; (16)Surface Tension: 39.843 dyne/cm; (17)Density: 1.693 g/cm3; (18)Flash Point: 129.614 °C; (19)Enthalpy of Vaporization: 53.995 kJ/mol; (20)Boiling Point: 320.637 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(OC)c(OC)cc1Br
(2) InChI: InChI=1/C9H10Br2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,5H2,1-2H3
(3) InChIKey: PAJNRELOTRXFAQ-UHFFFAOYAC
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