ChemicalBook--->CAS DataBase List--->1990-90-5

1990-90-5

1990-90-5 Structure

1990-90-5 Structure
IdentificationMore
[Name]

3-Methyl-4-aminopyridine
[CAS]

1990-90-5
[Synonyms]

3-METHYL-4-AMINOPYRIDINE
3-METHYL-4-PYRIDINYLAMINE
3-METHYLPYRIDIN-4-AMINE
3-METHYL-PYRIDIN-4-YLAMINE
4-AMINO-3-METHYLPYRIDINE
4-AMINO-3-PICOLINE
3-methyl-4-pyridinamin
4-amino-3-picolin
philips1908
4-Pyridinamine,3-methyl-(9CI)
3-METHYLPYRIDIN-4-AMINE ,98%
4-AMINO-3-METHYLPYRIDINE (4-AMINO-3-PICOLINE)
Phillips-1908
[EINECS(EC#)]

217-872-5
[Molecular Formula]

C6H8N2
[MDL Number]

MFCD01704431
[Molecular Weight]

108.14
[MOL File]

1990-90-5.mol
Chemical PropertiesBack Directory
[Melting point ]

106-107
[Boiling point ]

192.78°C (rough estimate)
[density ]

0.9581 (rough estimate)
[refractive index ]

1.5400 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

powder to crystal
[pka]

pK1: 9.43(+1) (25°C)
[color ]

Crystals from C6H6/pet ether
[InChI]

InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)
[InChIKey]

VGJLGPCXUGIXRQ-UHFFFAOYSA-N
[SMILES]

C1=NC=CC(N)=C1C
[CAS DataBase Reference]

1990-90-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C,Xi
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
[Safety Statements ]

S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2811
[WGK Germany ]

WGK 3
[RTECS ]

TJ5140000
[Hazard Note ]

Harmful
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Toxicity]

LD50 orl-rat: 446 mg/kg TXAPA9 21,315,72
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Methyl-4-nitropyridine N-Oxide-->Palladium-->Activated carbon-->Hydrogen-->Ethanol
[Preparation Products]

5-Azaindole
Hazard InformationBack Directory
[Chemical Properties]

Crystals
[Uses]

4-Amino-3-methylpyridine is a non depolarizing muscular relaxant with antagonist effect that functions on neuromuscular transmission and in central nervous systems in rats. A central cholinergic agent.
[Safety Profile]

Moderately toxic by ingestion.When heated to decomposition it emits toxic fumes ofNOx.
[Synthesis]

3-Methyl-4-nitropyridine N-Oxide

1074-98-2

3-Methyl-4-aminopyridine

1990-90-5

Step 2: A mixed solution of 3-methyl-4-nitropyridine-N-oxide (30.0 g, 195 mmol) with 10% palladium-carbon catalyst (6.0 g) in ethanol (450 mL) was subjected to a hydrogen atmosphere (5 bar) and the reaction was stirred at room temperature for 36 hours. Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad to remove the catalyst, followed by evaporation of the solvent under reduced pressure to afford the target product 3-methyl-4-aminopyridine (20.0 g, 95% yield).

[References]

[1] Nucleosides, Nucleotides and Nucleic Acids, 2002, vol. 21, # 11-12, p. 737 - 751
[2] Patent: WO2015/22073, 2015, A1. Location in patent: Page/Page column 39
[3] Patent: WO2005/63744, 2005, A2. Location in patent: Page/Page column 232
[4] Journal of the American Chemical Society, 1954, vol. 76, p. 4184
[5] Pharmaceutical Bulletin, 1956, vol. 4, p. 174,177
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyl-4-aminopyridine(1990-90-5)1HNMR
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