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6-BROMONICOTINAMIDE 98

6-BROMONICOTINAMIDE 98 structure

CAS No:
889676-37-3
Formula:
C6H5BrN2O
Chemical Name:
6-BROMONICOTINAMIDE 98
Synonyms:
6-BROMONICOTINAMIDE 98;6-Bromonicotinamide 98%;2-Bromo-5-pyridinecarboxamide;6-broMopyridine-3-carboxaMide;6-BroMo-3-pyridinecarboxaMide;6-Bromopyridine-3-carboxamide, 2-Bromo-5-carbamoylpyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-BROMONICOTINAMIDE 98 Basic Attributes

Molecular Weight：

201.0225

Exact Mass：

199.958511

DSSTox ID：

DTXSID90593592

HScode：

2933399090

Characteristics

PSA：

Density：

1.7±0.1 g/cm3

Melting Point：

238-240

Boiling Point：

352.4°C at 760 mmHg

Flash Point：

166.9±23.7 °C

Refractive Index：

1.614

Storage Conditions：

Keep Cold

Safety Information

Marks：

Hazard note：

Irritant/Keep Cold

6-BROMONICOTINAMIDE 98 Use and Manufacturing

Preparation 66-Brom o-nicotinam ideTo a solution of 6-bromo-nicotinic acid (4.8g, 23.8 mmol) in dimethylsulfoxide (20ml) was added at room temperature carbonyldiimidazole (4.8g, 29.6 mmol), and the mixture stirred for 16 hours. To the mixture was added dropwise, with cooling in ice bath, 0.880 ammonia solution (40ml), then the mixture stirred for 1 hour, then poured into water (20ml). The precipitate was filtered, washed with water and dried in vacuo to give the title product as a white solid in 81percent yield, 3.9g.A suspension of 6-Bromonicotinic acid (2 g) and CDI (1.8 g) in THF was stirred at room temperature. After 3 h the NHA mixture of 2-bromo-5-cyanopyridine (10 mmol, 1.83 g), Sodium tert-butoxide (0 · 1 mmol, 9 · 6 mg)(V: V = 3: 1) in a mixed solvent of xylene / ethanol (V: V = 3: 1). After the reaction was allowed to proceed for 4 hours, the reaction was stopped, After drying, the residue was purified by silica gel column chromatography to give 1.84 g of 2-bromo-5-amidopyridine as a white solid

Computed Properties

Molecular Weight:201.02
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:199.95853
Monoisotopic Mass:199.95853
Topological Polar Surface Area:56
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes