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Cas Database |
| Name |
2-Bromo-3-methyl-5-chloropyridine |
EINECS | N/A |
| CAS No. | 65550-77-8 | Density | 1.624 |
| PSA | 12.89000 | LogP | 2.80590 |
| Solubility | N/A | Melting Point |
40-44 °C |
| Formula | C6H5BrClN | Boiling Point | 240.3 °C at 760 mmHg |
| Molecular Weight | 206.469 | Flash Point | 99.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 37/39-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Bromo-3-methyl-5-chloropyridine;2-Bromo-5-chloro-3-methylpyridine;2-Bromo-5-chloro-3-picoline; |
Article Data | 2 |
2-Bromo-3-methyl-5-chloropyridine Synthetic route
- 1603-40-3
3-methylpyridin-2-ylamine
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
| Conditions | Yield |
|---|---|
| With hydrogen bromide; bromine; sodium nitrite 1.) chlorination; 2.) water, -10 deg C, 1.5 h, 0 deg C, 0.5 h; Multistep reaction; |
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
- 579476-63-4
2-methylpyridine-4-boronic acid
| Conditions | Yield |
|---|---|
| With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); triethylamine In water; acetone at 20℃; for 4h; Solvent; Temperature; Suzuki Coupling; | 100% |
- 660867-80-1
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
| Conditions | Yield |
|---|---|
| With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); TPGS-750-M; triethylamine In water; acetone at 45℃; for 31h; Solvent; Suzuki-Miyaura Coupling; Inert atmosphere; | 85% |
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
- 109-76-2
Trimethylenediamine
A
- 92992-77-3
N-(5-chloro-3-methyl-2-pyridyl)-1,3-diaminopropane
| Conditions | Yield |
|---|---|
| In pyridine for 3.5h; | A 76% B n/a |
- 557-21-1
zinc(II) cyanide
- 52409-22-0, 51364-51-3
tris-(dibenzylideneacetone)dipalladium(0)
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
- 156072-84-3
5-chloro-3-methylpyridine-2-carbonitrile
| Conditions | Yield |
|---|---|
| 76% |
- 557-21-1
zinc(II) cyanide
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
- 156072-84-3
5-chloro-3-methylpyridine-2-carbonitrile
| Conditions | Yield |
|---|---|
| With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0) In N,N-dimethyl acetamide at 110℃; for 4h; | 76% |
| With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0) In N,N-dimethyl acetamide at 110℃; for 4h; | 76% |
| With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0) In N,N-dimethyl acetamide at 110℃; for 4h; | 76% |
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
- 107-15-3
ethylenediamine
A
- 92992-98-8
2-(2-aminoethylamino)-5-chloro-3-methylpyridine
| Conditions | Yield |
|---|---|
| In pyridine for 6.5h; Heating; | A 73% B n/a |
- 109-01-3
1-methyl-piperazine
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
| Conditions | Yield |
|---|---|
| With dichloro[4,5-bis(diphenylphosphino)-9,9’-dimethylxanthene]palladium(II); sodium t-butanolate at 75℃; Buchwald-Hartwig Coupling; Inert atmosphere; | 73% |
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
- 110-60-1
1,4-diaminobutane
A
- 92993-00-5
2-(4-aminobutylamino)-5-chloro-3-methylpyridine
| Conditions | Yield |
|---|---|
| In pyridine for 4h; Heating; | A 72% B n/a |
- 65550-77-8
2-bromine-3-methyl-5-chloropyridine
- 92992-99-9
2-[2-(5-chloro-3-methylpyrid-2-ylamino)ethylamino]-5-(6-methylpyrid-3-ylmethyl)-4-pyrimidone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 73 percent / pyridine / 6.5 h / Heating 2: 86 percent / pyridine / 22 h / Heating View Scheme |
2-Bromo-3-methyl-5-chloropyridine Specification
This product is an organic compound with the formula C6H5BrClN. The systematic name of this chemical is 2-bromo-5-chloro-3-methylpyridine. With the CAS registry number 65550-77-8, it is also named as 2-Bromo-5-chloro-3-picoline. The product's categories are Pyridine; Pyridines; Boronic Acid.
The other characteristics of 5-Bromo-2-chloro-3-methyl-pyridine can be summarized as: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 75.41; (6)ACD/BCF (pH 7.4): 75.41; (7)ACD/KOC (pH 5.5): 768.17; (8)ACD/KOC (pH 7.4): 768.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 41.75 cm3; (15)Molar Volume: 127 cm3; (16)Polarizability: 16.55×10-24 cm3; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 45.78 kJ/mol; (19)Vapour Pressure: 0.0593 mmHg at 25°C.
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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cnc(Br)c(C)c1
2. InChI:InChI=1/C6H5BrClN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
3. InChIKey:XEHWMXAUPXFOHZ-UHFFFAOYAT
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