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351019-18-6

351019-18-6 Structure

351019-18-6 Structure
IdentificationMore
[Name]

2-Fluoropyridine-5-boronic acid
[CAS]

351019-18-6
[Synonyms]

2-FLUORO-5-PYRIDINEBORONIC ACID
(2-FLUORO-5-PYRIDINYL)-BORONIC ACID
2-FLUORO-5-PYRIDYLBORONIC ACID
(2-FLUOROPYRIDIN-5-YL)BORONIC ACID
2-FLUOROPYRIDINE-5-BORONIC ACID
6-FLUORO-3-PYRIDINEBORONIC ACID
6-FLUORO-3-PYRIDINYLBORONIC ACID
6-FLUOROPYRIDIN-3-YLBORONIC ACID
6-FLUOROPYRIDINE-3-BORONIC ACID
AKOS BRN-0471
RARECHEM AK ML 0441
2-fluoropyridinyl-5-boronic acid-
2-FLUOROPYRIDIN-5-BORONIC ACID
Boronic acid, (6-fluoro-3-pyridinyl)-(9CI)
2-Fluoropyridine-5-Boronic
6-fluoro-3-pyridylboronic acid
6-fluoropyridin-3-yl-3-boronic acid
2-Fluoropyridine-5-boronic acid ,98%
Boronic acid, B-(6-fluoro-3-pyridinyl)-
[EINECS(EC#)]

627-412-9
[Molecular Formula]

C5H5BFNO2
[MDL Number]

MFCD03411559
[Molecular Weight]

140.91
[MOL File]

351019-18-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow solid
[Melting point ]

177-178°C (dec.)
[Boiling point ]

311.5±52.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

6.97±0.10(Predicted)
[color ]

White to Almost white
[Detection Methods]

HPLC,NMR
[BRN ]

8974962
[InChI]

InChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
[InChIKey]

OJBYZWHAPXIJID-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C(F)N=C1)(O)O
[CAS DataBase Reference]

351019-18-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

Diethyl ether-->Sulfuric acid-->Tetrahydrofuran-->Acetic acid-->Sodium nitrite-->n-Butyllithium-->Triisopropyl borate-->Iodine-->Fluoroboric acid-->2-Aminopyridine-->Periodic acid-->2-Amino-5-bromopyridine
[Preparation Products]

2-Fluoro-5-(4-methoxyphenyl)pyridine
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow solid
[Uses]

suzuki reaction
[Synthesis]

5-Bromo-2-fluoropyridine

766-11-0

2-Fluoropyridine-5-boronic acid

351019-18-6

The general procedure for the synthesis of 2-fluoropyridine-5-boronic acid from 2-fluoro-5-bromopyridine is as follows: 1. in a 72 L reactor equipped with a reflux condenser and temperature probe, 5-bromo-2-fluoropyridine (1.17 L, 0.568 mol), toluene (18.2 L) and triisopropyl borate (3.13 L, 0.68 mol, 1.2 eq.) were added and stirring was initiated. 2. tetrahydrofuran (4.4L) was added to the reactor and the reaction mixture was cooled to -35 to -50°C. 3. n-Butyllithium (2.5M hexane solution, 5.44L, 0.68mol, 1.2 eq.) was added slowly and dropwise while maintaining the temperature of the reaction mixture between -35 and -45 °C. 4. after 5 hours of reaction, confirming that the reaction is complete, the reaction mixture is slowly warmed to -15 to -20 °C. 5. 2M HCl (11.80L) was slowly added to the reaction mixture while maintaining the temperature between -15°C and 0°C. 6. The reaction mixture was stirred at 18 to 23 °C for 16 h followed by phase separation. 7. The organic phase was extracted with 6 M sodium hydroxide (6.0 L). 8. The acidic and basic aqueous phases were combined in a reactor and the pH was adjusted to 7.5 by slowly adding 6M HCl (2.5L). 9. Sodium chloride (6.0 kg) was added to the aqueous phase, followed by extraction with THF (3 x 20 L). 10. The organic phases were combined, dried with magnesium sulfate, and concentrated to give 1300 g of brown solid in 81% crude yield.

[References]

[1] Patent: WO2009/51848, 2009, A1. Location in patent: Page/Page column 65
[2] Tetrahedron, 2002, vol. 58, # 14, p. 2885 - 2890
[3] Journal of Medicinal Chemistry, 2005, vol. 48, # 1, p. 224 - 239
[4] Synthesis, 2003, # 7, p. 1035 - 1038
[5] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 10, p. 2858 - 2862
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluoropyridine-5-boronic acid(351019-18-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Fluoropyridine-5-boronic acid, 97%(351019-18-6)
[Alfa Aesar]

6-Fluoropyridine-3-boronic acid, 95%(351019-18-6)
[Sigma Aldrich]

351019-18-6(sigmaaldrich)
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