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156545-07-2

3,5-Difluorophenylboronic acid

CAS: 156545-07-2

Molecular Formula: C6H5BF2O2

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156545-07-2 - Names and Identifiers

Name 3,5-Difluorophenylboronic acid
Synonyms AKOS BRN-0091
RARECHEM AH PB 0167
3,5-Difluorophenylboronic acid
3,5-DIFLUOROPHENYLBORONIC ACID
3,5-DIFLUOROBENZENEBORONIC ACID
3,5-Difluorobenzeneboronic acid
(3,5-dimethoxyphenyl)boronic acid
Boronic acid,(3,5-difluorophenyl)-(9CI)
Boronic acid, (3,5-difluorophenyl)- (9CI)
[4-(benzyloxy)-2,3-difluorophenyl]boronic acid
CAS 156545-07-2
EINECS 605-060-7
InChI InChI=1/C13H11BF2O3/c15-12-10(14(17)18)6-7-11(13(12)16)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2

156545-07-2 - Physico-chemical Properties

Molecular FormulaC6H5BF2O2
Molar Mass157.91
Density1.35±0.1 g/cm3(Predicted)
Melting Point210-217 °C (lit.)
Boling Point266.9±50.0 °C(Predicted)
Flash Point206.2°C
Vapor Presure1.04E-07mmHg at 25°C
AppearanceCrystalline powder
BRN6800882
pKa6.46±0.10(Predicted)
Storage ConditionKeep in dark place,Sealed in dry,Room Temperature
Refractive Index1.562
MDLMFCD01318138
Physical and Chemical PropertiesMelting Point 210-217°C

156545-07-2 - Risk and Safety

Risk CodesR36/37/38 - Irritating to eyes, respiratory system and skin.
R20 - Harmful by inhalation
R19 - May form explosive peroxides
R11 - Highly Flammable
R22 - Harmful if swallowed
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
S33 - Take precautionary measures against static discharges.
S16 - Keep away from sources of ignition.
S37/39 - Wear suitable gloves and eye/face protection
WGK Germany3
HS Code29163990
Hazard ClassIRRITANT

156545-07-2 - Reference Information

application 3, 5-difluorophenylboronic acid is a fluorophenylboronic acid, which is a yellow solid. Fluorophenylboronic acid is a kind of organic synthesis and pharmaceutical and chemical intermediates that are relatively stable in the air, insensitive to moisture, can be stored for a long time and have high reactivity. The Suzuki coupling reaction of fluorophenylboronic acid and halogenated aromatic hydrocarbons has good position selectivity and stereoselectivity. Various chemical functional groups do not change in the reaction. The reaction conditions are mild and the yield is high. It is an important way to form C- C bonds.
prepare 5L three-mouth bottle with 62g(2.6mol) of magnesium chips and 750ml of tetrahydrofuran, a spherical condenser tube with a drying tube and a dropping funnel, 482.5g(2.5mol) of 3,5-difluorobromobenzene and 1500ml of tetrahydrofuran (confirming the reaction initiation) dropwise, add heat and reflux for 0.5 hours after adding, and keep positive pressure with nitrogen, stir, cool to -50 ℃ in a low-temperature bath, add 850g(3.7mol)-500ml tetrahydrofuran solution dropwise, when the reaction solution is lower than -50 ℃, use about 1.5 hours, stir in the bath for 5 minutes after adding, then stir to room temperature, leave overnight, add 500ml concentrated hydrochloric acid (analytically pure, the same below)-1000ml water for hydrolysis, stir for 1 hour; then add 2L of ethyl acetate, separate the liquid, saturated salt water wash to neutral; water bath decompression steam solvent, cooling to room temperature, suction filtration, 3, 5-difluorophenylboronic acid. Yield: 296g (75% of theoretical value), melting point: 210 ℃.
Last Update：2024-04-09 15:16:39
156545-07-2
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