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4-AMINOPYRIDINE-2-CARBONITRILE

4-AMINOPYRIDINE-2-CARBONITRILE structure

CAS No:
98139-15-2
Formula:
C6H5N3
Chemical Name:
4-AMINOPYRIDINE-2-CARBONITRILE
Synonyms:
4-Aminopyridine-2-carbonitrile;4-Amino-2-cyanopyridine;4-aminopicolinonitrile;2-Pyridinecarbonitrile, 4-amino-;4-amino-2-pyridinecarbonitrile;9819-15-2;PubChem23209;SCHEMBL1796309;4-azanylpyridine-2-carbonitrile;4-Amino-pyridine-2-carbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-AMINOPYRIDINE-2-CARBONITRILE Basic Attributes

Molecular Weight：

119.12

Exact Mass：

119.048347

DSSTox ID：

DTXSID80630864

HScode：

2933399090

Characteristics

PSA：

62.7

XLogP3：

0.2

Density：

1.2±0.1 g/cm3

Melting Point：

145 °C

Boiling Point：

368.2°C at 760 mmHg

Flash Point：

176.5±22.3 °C

Refractive Index：

1.595

4-AMINOPYRIDINE-2-CARBONITRILE Use and Manufacturing

A mixture of 2-chloro-pyridin-4-ylamine (0.642 g, 5 mmol), Zn (CN) 2 (0.323 g, 2.75 mmol) and Pd (PPh3) 4 (0.288 g, 0.025 mmol) in 5 mL of DMF was heated at 145 C for 20 hours. After the reaction mixture cooled to room temperature, it was partitioned between ethyl acetate and H2O. The aqueous layer was extracted with additional ethyl acetate. The combined organic layers were washed with brine, dried (MGS04), filtered, and concentrated under vacuum. The residue was purified by flash column chromatography on silica gel with 9: 1 HEXANES/ETHYL acetate to provide 0.29 g (20percent) of the desired product. MS (DCI) m/e 120 (M+H) + ; IH NMR (300 MHz, DMSO-D6) 8 8.08 (d, J=5.76 Hz, 1H), 6.94 (d, J=2.34 Hz, 1H), 6.68 (dd, J=5. 76, 2. 37 Hz, 1H), 6.59 (s, 2H).

Computed Properties

Molecular Weight:119.12
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:119.048347172
Monoisotopic Mass:119.048347172
Topological Polar Surface Area:62.7
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

98139-15-2 4-aminopyridine-2-carbonitrile

CAS No.: 98139-15-2

Grade: Industrial Grade

Content: 95%

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Guide of 4-AMINOPYRIDINE-2-CARBONITRILE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-AMINOPYRIDINE-2-CARBONITRILE

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