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3-BROMO-2-PHENYLPYRIDINE

3-BROMO-2-PHENYLPYRIDINE structure

CAS No:
91182-50-2
Formula:
C11H8BrN
Chemical Name:
3-BROMO-2-PHENYLPYRIDINE
Synonyms:
3-bromo-2-phenylpyridine;2-phenyl-3-bromopyridine;3-bromo-2-phenyl-pyridine;ACMC-209r8g;Pyridine,3-bromo-2-phenyl-;SCHEMBL117074;CTK5G9028;DTXSID00376454;KS-00000NI8;ANW-39566
Categories:
Dyes and Pigments > Dye

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3-BROMO-2-PHENYLPYRIDINE Basic Attributes

Molecular Weight：

234.096

Exact Mass：

232.984009

DSSTox ID：

DTXSID00376454

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

3.2

Density：

1.4±0.1 g/cm3

Boiling Point：

296.1°C at 760 mmHg

Flash Point：

132.9±21.8 °C

Refractive Index：

1.606

3-BROMO-2-PHENYLPYRIDINE Use and Manufacturing

General procedure: 2, 5-dibromopyridine (0.12 g, 0.50 mmol), phenylboronic acid (67 mg, 0.55 mmol), KGeneral procedure: A mixture of MeCN and MeOH (2:1, 15 ml) wasadded to a mixture of 2, 3-dibromopyridine (1) (474 mg, 2.0 mmol), arylboronic acid (2.1 mmol), K2CO3 (560 mg, 4.0 mmol), PPh3 (52 mg, 10 mol percent) and Pd(OAc)2 (23 mg, 5 mol percent) in a screw-cap vial. Reaction mixture was flushedwith argon, sealed, and stirred at 50°C for 24 h in an oilbath. Then the reaction mixture was cooled to room temperature and filtered through Celite. Filtrate was concentratedunder reduced pressure, the residue was dissolved in CH2Cl2(20 ml), washed with water (3×10 ml) and dried overNa2SO4. Solvent was evaporated under reduced pressure, and the residue was purified by column chromatography on silica (hexane–EtOAc, 30:1) to provide pure pyridines 2a–j. 3-Bromo-2-phenylpyridine (2a).53 Yield 387 mg(83percent), colorless oil.

Computed Properties

Molecular Weight:234.09
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:232.98401
Monoisotopic Mass:232.98401
Topological Polar Surface Area:12.9
Heavy Atom Count:13
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 91182-50-2

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