ChemicalBook--->CAS DataBase List--->1993-03-9

1993-03-9

1993-03-9 Structure

1993-03-9 Structure
IdentificationMore
[Name]

2-Fluorophenylboronic acid
[CAS]

1993-03-9
[Synonyms]

2-FLUOROBENZENEBORONIC ACID
2-FLUOROPHENYLBORONIC ACID
AKOS BRN-0104
O-FLUOROPHENYLBORONIC ACID
RARECHEM AH PB 0215
2-Fluorophenylboronic
2-Fluorobenzeneboronic acid 97%
2-Fluorobenzeneboronicacid97%
ORTHOFLUOROPHENYLBORONIC ACID
2-Fluorophenylboronic Acid (contains varying amounts of Anhydride)
2-Fluorophenylboronic acid ,98%
[EINECS(EC#)]

671-858-7
[Molecular Formula]

C6H6BFO2
[MDL Number]

MFCD00674013
[Molecular Weight]

139.92
[MOL File]

1993-03-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystalline powder
[Melting point ]

101-110 °C (lit.)
[Boiling point ]

267.8±42.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

0-6°C
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder
[pka]

8.32±0.58(Predicted)
[color ]

White to light yellow
[BRN ]

3030413
[InChI]

InChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
[InChIKey]

QCSLIRFWJPOENV-UHFFFAOYSA-N
[SMILES]

B(C1=CC=CC=C1F)(O)O
[CAS DataBase Reference]

1993-03-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29319099
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Trimethyl borate-->1-Fluoro-2-iodobenzene-->2-Bromofluorobenzene-->Triisopropyl borate-->n-Butyllithium-->Hydrochloric acid
[Preparation Products]

4'-(2-Fluorophenyl)propiophenone-->5-Thiazolecarboxaldehyde, 2-(2-fluorophenyl)--->1-[2'-fluoro(1,1'-biphenyl)-4-yl]ethan-1-one-->6-(2-Fluorophenyl)-picolinic acid-->2-(2-Fluoro-phenyl)-4-methyl-pyridine-->Anthracene, 9-(2-fluorophenyl)--->Cyclopentanone, 3-(2-fluorophenyl)-, (3S)--->[1,1'-Biphenyl]-2-carbonitrile, 2',6-difluoro-
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystalline powder
[Uses]

suzuki reaction
[Synthesis]

2-Bromofluorobenzene

1072-85-1

2-Fluorophenylboronic acid

1993-03-9

The general procedure for the synthesis of 2-fluorophenylboronic acid from o-bromofluorobenzene was as follows: 10.0 g (57.1 mmol) of 1-bromo-2-fluorobenzene and anhydrous tetrahydrofuran were added to a reaction flask and the mixture was subsequently cooled to -70 °C. At -70 °C, 44.2 ml (68.5 mmol) of 1.55 M n-butyllithium solution was slowly added dropwise to the reaction mixture. The temperature was maintained at -70 °C and stirring of the reaction mixture was continued for 1.5 hours. Subsequently, 21.5 g (114.2 mmol) of triisopropyl borate was added dropwise and the reaction temperature was gradually raised to room temperature and stirring was continued for 4 hours. Upon completion of the reaction, aqueous hydrochloric acid was added to the reaction mixture and extracted with dichloromethane. The organic phases were combined and the solvent was removed by distillation under reduced pressure to give the crude product of 2-fluorophenylboronic acid. The crude product was purified by column chromatography (eluent: hexane/acetone) to give 4.8 g (yield: 61%) of pure 2-fluorophenylboronic acid.

[References]

[1] Patent: US2012/273770, 2012, A1. Location in patent: Page/Page column 24
[2] Patent: US2004/6076, 2004, A1. Location in patent: Page 15
[3] Journal of Organic Chemistry, 2013, vol. 78, # 13, p. 6427 - 6439
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluorophenylboronic acid(1993-03-9)1HNMR
2-Fluorophenylboronic acid(1993-03-9)13CNMR
2-Fluorophenylboronic acid(1993-03-9)IR1
2-Fluorophenylboronic acid(1993-03-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Fluorophenylboronic acid, 98%(1993-03-9)
[Alfa Aesar]

2-Fluorobenzeneboronic acid, 98%(1993-03-9)
[Sigma Aldrich]

1993-03-9(sigmaaldrich)
[TCI AMERICA]

2-Fluorophenylboronic Acid  (contains varying amounts of Anhydride)(1993-03-9)
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