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210169-05-4

210169-05-4 Structure

210169-05-4 Structure
IdentificationMore
[Name]

3-AMINO-5-FLUOROPYRIDINE
[CAS]

210169-05-4
[Synonyms]

3-AMINO-5-FLUOROPYRIDINE
3-Pyridinamine,5-fluoro-(9CI)
3-AMINO-5-FLUOROPYRIDINE 97%
5-Fluoropyridin-3-amine
5-Fluoropyridin-3-ylamine
[EINECS(EC#)]

664-255-5
[Molecular Formula]

C5H5FN2
[MDL Number]

MFCD00234073
[Molecular Weight]

112.11
[MOL File]

210169-05-4.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow Cryst
[Melting point ]

86°C
[Boiling point ]

232.7±20.0 °C(Predicted)
[density ]

1.257±0.06 g/cm3(Predicted)
[storage temp. ]

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

powder to crystal
[pka]

3.74±0.20(Predicted)
[color ]

Light orange to Yellow to Green
[InChI]

InChI=1S/C5H5FN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
[InChIKey]

ZRORIJXOWXYPMO-UHFFFAOYSA-N
[SMILES]

C1=NC=C(F)C=C1N
[CAS DataBase Reference]

210169-05-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Methanol-->Diethyl ether-->Hexane-->Palladium-->Fluoroboric acid-->1,2-Dichloroethane-->Benzyl alcohol-->Ammonium formate-->4-Methylmorpholine-->Diphenylphosphoryl azide-->5-Methylpyridin-3-amine-->Isoamyl nitrite-->5-Fluoronicotinic acid-->Carbamic acid, N-(5-fluoro-3-pyridinyl)-, phenylmethyl ester-->2,6-Dichloro-5-fluoronicotinoyl chloride-->2,4,6-Tribromo-3,5-difluoropyridine
Hazard InformationBack Directory
[Chemical Properties]

Light yellow Crystal
[Uses]

3-amino-5-fluoropyridine is an important intermediate mainly used in medicine and organic synthesis. It is used to synthesize Ivosidenib. Ivosidenib is an isocitrate dehydrogenase-1 inhibitor used to treat acute myeloid leukemia and cholangiocarcinoma in adults.
[Application]

Reactant for:
Preparation of nonpeptide inhibitors of measles virus entry.
[Preparation]

synthesis of 3-Amino-5-fluoropyridine: A solution of 3-amino-2,4,6-tribromo-5-fluoropyridine (23c) (0.9 g, 2.6 mmol), triethylamine (1.1 cm3, 7.9 mmol), palladium catalyst (0.1 g of 5% Pd-C catalyst) and DCM (15 cm3) was hydrogenated on a Parr apparatus for 18 h. Water (20 cm3) was added and the mixture filtered and extracted into DCM. The DCM solution was dried (MgS04) and evaporated giving 3-amino-5-fluoropyridine (0.3 g, >95% ), m.p. 86 ·c (from DCM) (Found: C, 53.6; H, 4.6; N, 25.0. C5H5FN2 requires C, 53.6; H, 4.5 N, 25.0%);
IR spectrum no. 9; mass spectrum no. 5; nmr spectrum no. 29.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Amino-5-fluoropyridine(210169-05-4)1HNMR
3-Amino-5-fluoropyridine(210169-05-4)FT-IR
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