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Cas Database |
| Name |
2-Bromo-3-methoxy-6-nitropyridine |
EINECS | 675-760-5 |
| CAS No. | 76066-07-4 | Density | 1.73g/cm3 |
| PSA | 67.94000 | LogP | 2.28410 |
| Solubility | N/A | Melting Point |
140-142°C |
| Formula | C6H5BrN2O3 | Boiling Point | 364.404 °C at 760 mmHg |
| Molecular Weight | 233.021 | Flash Point | 174.185 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Bromo-3-methoxy-6-nitropyridine; |
Article Data | 17 |
2-Bromo-3-methoxy-6-nitropyridine Synthetic route
- 24100-18-3
2-bromo-3-methoxypyridine
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 2 - 55℃; | 83% |
| With sulfuric acid; nitric acid at 60℃; for 1h; | 80% |
| With sulfuric acid; nitric acid at 50℃; for 4h; | 80% |
- 109-00-2
3-HYDROXYPYRIDINE
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 35 percent / Br2, 10percent aq. NaOH / 24 h 2: 1.) NaOCH3 / 1.) MeOH, DMF; 2.) DMF, RT, 1.5 h 3: 80 percent / fuming HNO3, conc. H2SO4 / 1 h / 60 °C View Scheme |
- 6602-32-0
2-bromo-pyridin-3-ol
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) NaOCH3 / 1.) MeOH, DMF; 2.) DMF, RT, 1.5 h 2: 80 percent / fuming HNO3, conc. H2SO4 / 1 h / 60 °C View Scheme |
- 24100-18-3
2-bromo-3-methoxypyridine
- 7664-93-9
sulfuric acid
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
| Conditions | Yield |
|---|---|
| With nitric acid In water |
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
- 10167-97-2
2-amino-5-methoxypyridine
| Conditions | Yield |
|---|---|
| With hydrazine; palladium 10% on activated carbon In ethanol for 0.75h; Heating / reflux; | 96% |
| With hydrazine; palladium 10% on activated carbon In ethanol; water for 0.75h; Heating / reflux; | 96% |
| With hydrazine hydrate; palladium on activated charcoal In ethanol for 1.5h; Heating; | 95% |
| Conditions | Yield |
|---|---|
| With sodium In dimethyl sulfoxide at 30℃; for 2h; | 81% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 120℃; for 4h; | 78% |
- 124-41-4
sodium methylate
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
- 79491-44-4
2,3-dimethoxy-6-nitropyridine
| Conditions | Yield |
|---|---|
| In methanol; dimethyl sulfoxide at 20 - 35℃; for 49.5h; | 76% |
- 67-56-1
methanol
- 124-41-4
sodium methylate
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
- 79491-44-4
2,3-dimethoxy-6-nitropyridine
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 20 - 35℃; for 49.5h; | 76% |
- 72824-04-5
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 76066-07-4
2-bromo-3-methoxy-6-nitropyridine
- 1446792-80-8
2-allyl-3-methoxy-6-nitropyridine
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 66℃; for 20h; | 75% |
| With tetrakis(triphenylphosphine) palladium(0); cesium fluoride In tetrahydrofuran at 66℃; for 20h; | 75% |
| With tetrakis(triphenylphosphine) palladium(0); cesium fluoride In tetrahydrofuran at 66℃; for 20h; | 75% |
2-Bromo-3-methoxy-6-nitropyridine Specification
The 2-Bromo-3-methoxy-6-nitropyridine with cas registry number of 76066-07-4, belongs to the following product categories: (1)blocks; (2)Bromides; (3)NitroCompounds; (4)Pyridines; (5)Heterocyclic Compounds; (6)Heterocycles. It has the systematic name of 2-bromo-3-methoxy-6-nitropyridine.
Physical properties about this chemical are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 145; (8)ACD/KOC (pH 7.4): 145; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 45.258 cm3; (15)Molar Volume: 134.686 cm3; (16)Polarizability: 17.942×10-24cm3; (17)Surface Tension: 53.389 dyne/cm; (18)Enthalpy of Vaporization: 58.656 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(nc1Br)N(=O)=O;
(2)InChI: InChI=1/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3;
(3)InChIKey: ZKEAOLVGPKCNCT-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3;
(5)Std. InChIKey: ZKEAOLVGPKCNCT-UHFFFAOYSA-N
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