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104-90-5

Basic Information
CAS No.: 104-90-5
Name: 5-Ethyl-2-methylpyridine
Article Data: 79
Molecular Structure:
Molecular Structure of 104-90-5 (5-Ethyl-2-methylpyridine)
Formula: C8H11N
Molecular Weight: 121.182
Synonyms: 2-Methyl-5-ethylpyridine;5-Ethyl-2-picoline;2,5-Aldehydine;2-Picoline, 5-ethyl-;5-Ethyl-alpha-picoline;Aldehydecollidine;Aldehydine;Aldehydkollidin;Collidine, aldehydecollidine;
EINECS: 203-250-0
Density: 0.919 g/cm3
Melting Point: -70.9 °C
Boiling Point: 176 °C at 760 mmHg
Flash Point: 66.1 °C
Solubility: practically insoluble in water
Appearance: Clear liquid
Hazard Symbols: CorrosiveC,DangerousN
Risk Codes: 20/22-34-20/21/22-52/53
Safety: 26-36/37/39-45-61
Transport Information: UN 2300 6.1/PG 3
PSA: 12.89000
LogP: 1.95240
Synthetic route
768-44-5

5-ethyl-2-methylpyridine-N-oxide

104-90-5

5-ethyl-2-methyl-pyridine

Conditions
ConditionsYield
With Dimethylphenylsilane In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;92%
With triethyl-amine; compound In 1,4-dioxane for 2.5h; Heating;85%
100-97-0

hexamethylenetetramine

123-63-7

paracetaldehyde

A

536-78-7

3-ethylpyridine

B

104-90-5

5-ethyl-2-methyl-pyridine

C

108-99-6

3-Methylpyridine

D

589-93-5

2,5-dimethylpyridine

Conditions
ConditionsYield
With diammonium phosphate In ethanol; water at 230℃; for 1h; Further byproducts given;A 19%
B 3%
C 66%
D 3%
50-00-0

formaldehyd

75-07-0

acetaldehyde

A

110-86-1

pyridine

B

591-22-0

3,5-Lutidine

C

536-78-7

3-ethylpyridine

D

104-90-5

5-ethyl-2-methyl-pyridine

E

108-99-6

3-Methylpyridine

F

589-93-5

2,5-dimethylpyridine

Conditions
ConditionsYield
With diammonium phosphate at 230℃; under 26252.1 - 27752.2 Torr; for 1.5h; Product distribution; investigation of the synthesis of pyridines from mixtures aldehydes;A 1%
B 1%
C 22%
D 2.5%
E 61%
F 4%
60-35-5

acetamide

75-34-3

1,1-dichloroethane

104-90-5

5-ethyl-2-methyl-pyridine

3724-65-0

2-butenoic acid

104-90-5

5-ethyl-2-methyl-pyridine

Conditions
ConditionsYield
With ammonia; calcium chloride at 230℃;
107-25-5

methoxyethene

104-90-5

5-ethyl-2-methyl-pyridine

Conditions
ConditionsYield
With boron phosphate coal catalyst; ammonia at 210℃;
With aluminum oxide; ammonia at 210℃;
With ammonium hydroxide; ammonium fluoride-hydrogen fluoride at 260℃;
75-34-3

1,1-dichloroethane

104-90-5

5-ethyl-2-methyl-pyridine

Conditions
ConditionsYield
With ammonia; water at 160℃;
With ethanol; ammonia at 160℃;
557-91-5

1,1-Dibromoethane

104-90-5

5-ethyl-2-methyl-pyridine

Conditions
ConditionsYield
With ethanol; ammonia at 125 - 140℃;
With ammonia; water at 125 - 140℃;
15196-97-1

1-ethyl-4-methylpyridinium iodide

A

2150-18-7

2-ethyl-4-methylpyridine

B

104-90-5

5-ethyl-2-methyl-pyridine

Conditions
ConditionsYield
at 320℃;
at 320℃;
58052-80-5, 76231-37-3

2,4,6-trimethyl-hexahydro-[1,3,5]triazine; trihydrate

104-90-5

5-ethyl-2-methyl-pyridine

Conditions
ConditionsYield
With ethanol at 120 - 130℃;
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Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

Specification

The 5-Ethyl-alpha-picoline, with its cas register number 104-90-5, has its IUPAC name of 5-ethyl-2-methylpyridine. This chemical is practically insoluble in water, hygroscopic, combustible and incompatible with strong oxidizing agents. Besides, its product categories are various, such as pyridines derivates. This is commonly used in the pharmaceutical industry,especially for the preparation of nicotinic acid, nicotinamide, isoniazid, and so on.

The characteristics of 5-Ethyl-2-methylpyridine are as following:
 (1)XLogP3-AA: 2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 1; (5)Exact Mass: 121.089149; (6)MonoIsotopic Mass: 121.089149; (7)Topological Polar Surface Area: 12.9; (8)Heavy Atom Count: 9; (9)Complexity: 80.6; (10)Covalently-Bonded Unit Count: 1.

Production method of 5-Ethyl-2-methylpyridine:
5-Ethyl-2-methylpyridine can be prepared by 5-ethyl-2-methyl-pyridine-1-oxide. This reaction will need reagent (C2H5)3N*SO2 and solvent dioxane. The reaction time is 2.5 hours with reaction temperature of 85 ℃, and other condition is heating.


Uses of 5-Ethyl-alpha-picoline:
5-Ethyl-alpha-picoline could react with benzene-1,2-diamine to produce 2-(5-ethyl-pyridin-2-yl)-1H-benzoimidazole. The reaction condition is below: reagent: S; reaction time: 7 hours; reaction temp.: 160 ℃; field: 50%.

Safety information of 5-Ethyl-2-methylpyridine:
When you are dealing with this chemical, you should be very cautious. This is a kind of corrosive chemical, and it may destroy living tissue on contact. If by inhalation, in contact with skin or if swallowed, it will cause damage to our health. Besides, it is dangerous for the environment. As it may present an immediate or delayed danger to one or more components of the environment, and then it could cause damage to aquatic organisms and has long-term adverse effects in the aquatic environment. So you should take the following instructions while using. The first important thing is to wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Besides, in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Then remember to avoid releasing to the environment and then refer to special instructions/safety data sheet. You could aslo go to WGK Germany  3 for more safety information.

Additionally, you could obtain the molecular structure through converting the following datas:
(1)Canonical SMILES: CCC1=CN=C(C=C1)C
(2)InChI: InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3 
(3)InChIKey: NTSLROIKFLNUIJ-UHFFFAOYSA-N