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29051-44-3

29051-44-3 Structure

29051-44-3 Structure
IdentificationBack Directory
[Name]

6-PHENYLNICOTINIC ACID
[CAS]

29051-44-3
[Synonyms]

6-phnylnicotinic acid
6-PHENYLNICOTINIC ACID
6-Phenylnicotinic acid 90%
6-Phenylnicotinic acid, 90+%
6-phenylpyridine-3-carboxylicaci
6-PHENYLPYRIDINE-3-CARBOXYLIC ACID
6-Phenyl-3-pyridinecarboxylic acid
2-Phenyl-5-pyridinecarboxylic acid
6-PHENYLPYRIDIN-3-YLCARBOXYLIC ACID
3-Pyridinecarboxylic acid, 6-phenyl-
6-Phenylpyridine-3-carboxylic acid, 5-Carboxy-2-phenylpyridine
6-Phenylpyridine-3-carboxylic acid, 3-Carboxy-6-phenylpyridine
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-nitro-2-pyridinamine
[EINECS(EC#)]

249-386-4
[Molecular Formula]

C12H9NO2
[MDL Number]

MFCD03086128
[MOL File]

29051-44-3.mol
[Molecular Weight]

199.21
Chemical PropertiesBack Directory
[Melting point ]

243 °C
[Boiling point ]

388.1±30.0 °C(Predicted)
[density ]

1.241±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[pka]

2.19±0.10(Predicted)
[color ]

White to Light yellow
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Note ]

Harmful
[HS Code ]

2933399990
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of the American Chemical Society, 99, p. 3166, 1977 DOI: 10.1021/ja00451a053
[Synthesis]

6-Bromonicotinic acid

6311-35-9

Phenylboronic acid

98-80-6

6-PHENYLNICOTINIC ACID

29051-44-3

Under argon protection, 6-bromonicotinic acid (1 eq.), phenylboronic acid (1.2 eq.) and tetrakis(triphenylphosphine)palladium (1 mol%) were dissolved in a solvent mixture of dioxane and water (10:1 by volume). Potassium carbonate (2 equivalents) was then added and the reaction mixture was heated to reflux for 6 hours. After completion of the reaction, it was cooled to room temperature and the dioxane was removed by rotary evaporator. Water was added and the pH of the solution was adjusted to 1-3 with 2 N hydrochloric acid. the precipitated white solid precipitate was collected by filtration and dried to give 6-phenylnicotinic acid.

[References]

[1] Inorganic Chemistry, 2012, vol. 51, # 4, p. 2105 - 2114
[2] European Journal of Inorganic Chemistry, 2012, # 7, p. 1025 - 1037
[3] Organic Letters, 2016, vol. 18, # 23, p. 6094 - 6097
[4] European Journal of Medicinal Chemistry, 2017, vol. 137, p. 96 - 107
Spectrum DetailBack Directory
[Spectrum Detail]

6-PHENYLNICOTINIC ACID(29051-44-3)1HNMR
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