3,4-Difluorophenylboronic acid supplier

Name
3,4-Difluorophenylboronic acid
EINECS
CAS No. 168267-41-2
Article Data3
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 289-290 °C
Formula C₆H₅BF₂O₂
Boiling Point 265.4 °C at 760 mmHg
Molecular Weight 157.912
Flash Point 114.3 °C
Transport Information
Appearance white powder
Safety 37/39-26-36
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 3,4-Difluorobenzene boronic acid;3,4-difluorophenylboronicacid;
PSA 40.46000
LogP -0.35540

Synthetic route

: 90897-92-0
3,4-difluorophenylmagnesium bromide

: 168267-41-2
(3,4-difluorophenyl)boronic acid

Conditions

Conditions	Yield
With Triisopropyl borate In tetrahydrofuran at -40 - 0℃;	41%

: 1033691-65-4
C6H3BF5(1-)

: 168267-41-2
(3,4-difluorophenyl)boronic acid

Conditions

Conditions	Yield
In phosphate buffer pH=6.9 - 7.0; Kinetics;

: C14H21BF2O2

: 168267-41-2
(3,4-difluorophenyl)boronic acid

Conditions

Conditions	Yield
With hydrogenchloride; water In tetrahydrofuran pH=5;

: 17282-00-7
3-bromo-5-methylpyridin-2-amine

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1340487-51-5
3-(3,4-difluorophenyl)-5-methylpyridin-2-amine

Conditions

Conditions	Yield
With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere;	100%
With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 100℃; for 1h; Suzuki Coupling; Inert atmosphere;	100%

: methyl 2-(4-bromophenyl)-2-pivalamidoacetate

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: methyl 2-(3',4'-difluoro-[1,1'-biphenyl]-4-yl)-2-pivalamidoacetate

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In tetrahydrofuran; water at 100℃; for 2h; Suzuki Coupling; Microwave irradiation; Inert atmosphere; Sealed tube;	100%

: 126-30-7
2,2-Dimethyl-1,3-propanediol

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: C11H13BF2O2

Conditions

Conditions	Yield
Stage #1: 2,2-Dimethyl-1,3-propanediol; (3,4-difluorophenyl)boronic acid In diethyl ether at 20℃; for 1h; Stage #2: With calcium chloride at 20℃; for 1h;	100%

: 107346-32-7
4-amino-8-bromo-N-propyl-cinnoline-3-carboxamide

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 4-amino-8-(3,4-difluorophenyl)-N-propyl-cinnoline-3-carboxamide

Conditions

Conditions	Yield
	98.7%

: 586-78-7
para-nitrophenyl bromide

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 954369-63-2
3,4-difluoro-4'-nitro-1,1'-biphenyl

Conditions

Conditions	Yield
With sodium carbonate In water at 25℃; for 6.5h; Suzuki Coupling;	98%
With sodium carbonate at 80℃; for 1.16667h; Catalytic behavior; Suzuki Coupling;	97%
With sodium carbonate at 100℃; for 0.75h; Suzuki-Miyaura Coupling;	95%

: 104-92-7
1-bromo-4-methoxy-benzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 3',4'-difluoro-4-methoxy-1,1'-biphenyl

Conditions

Conditions	Yield
With Ph2P(CH2CH2O)22CH3; triethylamine; palladium dichloride In water at 80℃; for 2h; Suzuki coupling; Inert atmosphere;	98%
With sodium carbonate at 100℃; for 2.5h; Suzuki-Miyaura Coupling;	91%

: 623-00-7
4-bromobenzenecarbonitrile

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 151559-21-6
3',4'-difluoro-(1,1'-biphenyl)-4-carbonitrile

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane Suzuki Coupling; Reflux; Inert atmosphere;	98%
With sodium carbonate at 80℃; for 1.5h; Catalytic behavior; Suzuki Coupling;	97%
With Ph2P(CH2CH2O)22CH3; triethylamine; palladium dichloride In water at 80℃; for 1h; Suzuki coupling; Inert atmosphere;	96%

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 136755-64-1
3,3’,4,4’-tetrafluorobiphenyl

Conditions

Conditions	Yield
With air In N,N-dimethyl-formamide at 20℃; for 16h; Green chemistry;	98%
With copper fluorapatite In methanol at 20℃; for 2h; Green chemistry;	93%
With oxygen; potassium carbonate In water at 25℃; for 2h; Green chemistry;	93%

: 105942-08-3
4-bromo-6-fluorobenzonitrile

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 3,3',4'-trifluoro-[1,1'-biphenyl]-4-carbonitrile

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane Suzuki Coupling; Reflux; Inert atmosphere;	98%

: 1162261-01-9
4-{3-[6-(3-bromo-5-dimethylcarbamoyl-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1162261-04-2
4-{3-[6-(5-dimethylcarbamoyl-3',4'-difluoro-biphenyl-3-yloxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester

Conditions

Conditions	Yield
With caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,2-dimethoxyethane at 97℃; for 15h; Suzuki Coupling;	97%

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 2-(carboxymethyl)-5-iodobenzoic acid

: 1354742-83-8
4-(carboxymethyl)-3',4'-difluorobiphenyl-3-carboxylic acid

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water at 150℃; for 0.5h; Suzuki coupling; Inert atmosphere; Microwave irradiation;	97%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water at 150℃; for 0.5h; Suzuki Coupling; Microwave irradiation;

: 1124382-72-4
8-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-ylamine

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1329672-80-1
8-(3,4-difluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine

Conditions

Conditions	Yield
With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 20 - 110℃; for 18h;	97%
With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 110℃; for 18h; Suzuki Coupling;	97%

: 827-94-1
2,6-dibromo-4-nitroaniline

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1426332-53-7
2,6-bis(3,4-difluorophenyl)-4-nitroaniline

Conditions

Conditions	Yield
With potassium phosphate tribasic heptahydrate; palladium diacetate In water; N,N-dimethyl-formamide at 80℃; for 0.416667h; Suzuki Coupling;	97%

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 134412-17-2
3,4-difluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate In ethanol; water at 80℃; for 0.5h; Suzuki Coupling;	97%

: 1611473-65-4
8-bromo-N-(2-(methylsulfonyl)ethyl)-1,6-naphthyridine-2-carboxamide

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1611473-16-5
8-(3,4-difluorophenyl)-N-(2-(methylsulfonyl)ethyl)-1,6-naphthyridine-2-carboxamide

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 80℃; for 1h;	97%

: 591-50-4
iodobenzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 67277-33-2
3,4‐difluoro‐1,1′‐biphenyl

Conditions

Conditions	Yield
With sodium carbonate at 100℃; for 0.666667h; Suzuki-Miyaura Coupling;	97%
With sodium carbonate at 80℃; for 0.833333h; Catalytic behavior; Suzuki Coupling;	97%
With sodium carbonate at 80℃; for 1.41667h; Kinetics; Suzuki Coupling; Green chemistry;	96%

: 7-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-1-benzothiophene-2-carboxamide

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 7-(3,4-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-1-benzothiophene-2-carboxamide

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane; water at 100℃; for 1h; Inert atmosphere;	97%

: 86579-53-5
4-(4-propylcyclohexyl)-1-bromobenzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 3',4'-difluoro-4-(4-propylcyclohexyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With potassium phosphate; [Pd(Ph2PCH2CH(CH3)O)2] In tetrahydrofuran; water at 20℃; for 5h; Suzuki cross-coupling reaction;	96%
With potassium fluoride; [Ph2P(CH2)2NH2]2PdCl2 In tetrahydrofuran; water at 25 - 27℃; for 5h; Suzuki cross-coupling reaction;	96%
With potassium phosphate; cis-bis((diphenylphosphino)acetate-κ2P,O)palladium(II) In tetrahydrofuran at 25 - 27℃; for 5h; Suzuki coupling;	91%

: 911370-10-0
4-chloro-8-(2,6-difluorophenyl)-2-{[2-hydroxy-1-(hydroxy-methyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 4-(3,4-difluoro-phenyl)-8-(2,6-difluoro-phenyl)-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane; water at 150℃; for 0.25h; Suzuki cross-coupling; Irradiation; microwave;	96%

: 18791-75-8
4-Bromothiophen-2-aldehyde

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1019780-50-7
4-(3,4-difluorophenyl)thiophene-2-carbaldehyde

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In ethanol; water; toluene for 16h; Suzuki cross-coupling; Heating;	96%

: 2042-37-7
o-cyanobromobenzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1253696-06-8
3',4'-difluoro-[1,1'-biphenyl]-2-carbonitrile

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate In ethanol; water at 80℃; for 0.666667h; Suzuki Coupling;	96%
With Ph2P(CH2CH2O)22CH3; triethylamine; palladium dichloride In water at 80℃; for 2h; Suzuki coupling; Inert atmosphere;	95%

: 1124-08-9
2,5-diiodo-p-xylene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1401514-49-5
C20H14F4

Conditions

Conditions	Yield
With sodium hydroxide In water for 2h; Reflux;	96%

: 608-30-0
2,6-dibromoaniline

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 1426332-55-9
2,6-bis(3,4-difluorophenyl)aniline

Conditions

Conditions	Yield
With potassium phosphate tribasic heptahydrate; palladium diacetate In water; N,N-dimethyl-formamide at 80℃; for 1.08333h; Suzuki Coupling;	96%

: 104901-43-1
methyl 3-bromo-4-methylbenzoate

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: methyl 3',4'-difluoro-6-methyl-[1,1'-biphenyl]-3-carboxylate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere;	96%
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere;	96%

: 108-86-1
bromobenzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 67277-33-2
3,4‐difluoro‐1,1′‐biphenyl

Conditions

Conditions	Yield
With sodium carbonate at 80℃; for 1.16667h; Catalytic behavior; Suzuki Coupling;	96%
With sodium carbonate at 100℃; for 0.5h; Suzuki-Miyaura Coupling;	95%
With sodium carbonate In water at 25℃; for 7h; Suzuki Coupling;	91%

: 624-31-7
4-tolyl iodide

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 3',4'-difluoro-4-methyl-1,1'-biphenyl

Conditions

Conditions	Yield
With sodium carbonate at 80℃; for 1.25h; Catalytic behavior; Suzuki Coupling;	96%
With sodium carbonate at 80℃; for 1.5h; Kinetics; Suzuki Coupling; Green chemistry;	92%

: 106-39-8
bromochlorobenzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: C12H7ClF2

Conditions

Conditions	Yield
With sodium carbonate at 80℃; for 1.16667h; Kinetics; Suzuki Coupling; Green chemistry;	96%
With sodium carbonate at 80℃; for 1.16667h; Catalytic behavior; Suzuki Coupling;	87%

: 13472-85-0
2-methoxy-5-bromopyridine

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 5-(3,4-difluorophenyl)-2-methoxypyridine

Conditions

Conditions	Yield
With O4P(3-)3K(1+)5H2O; palladium dichloride In water; N,N-dimethyl-formamide at 20℃; for 24h;	96%

: 63996-36-1
2-(4-bromophenyl]pyridine

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 2-(3',4'-difluoro-[1,1'-biphenyl]-4-yl)pyridine

Conditions

Conditions	Yield
With palladium diacetate; potassium carbonate In ethanol; water at 80℃;	95.6%

: tert-butyl 2-chloro-3-cyano-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: tert-butyl 3-cyano-2-(3,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 110℃; for 12h; Inert atmosphere;	95.04%

3,4-Difluorophenylboronic acid Chemical Properties

Molecule structure of 3.4-Difloromethylboronic acid (CAS NO.168267-41-2):

IUPAC Name: (3,4-Difluorophenyl)boronic acid
Molecular Weight: 157.910506 g/mol
Molecular Formula: C₆H₅BF₂O₂
Density: 1.35 g/cm³
Melting Point: 289-290 °C
Boiling Point: 251 °C at 760 mmHg
Flash Point: 105.6 °C
Index of Refraction: 1.485
Molar Refractivity: 33.51 cm³
Molar Volume: 116.7 cm³
Surface Tension: 36.1 dyne/cm
Enthalpy of Vaporization: 51.6 kJ/mol
Vapour Pressure: 0.011 mmHg at 25 °C
Storage Temp.: refrigerator (+4 °C)
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 158.035066
MonoIsotopic Mass: 158.035066
Topological Polar Surface Area: 40.5
Heavy Atom Count: 11
Canonical SMILES: B(C1=CC(=C(C=C1)F)F)(O)O
InChI: InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChIKey: RMGYQBHKEWWTOY-UHFFFAOYSA-N
Product Categories: Fluorin-contained phenyl boronic acid series; HALIDE; blocks; BoronicAcids; FluoroCompounds; Substituted Boronic Acids; Boronic Acid; Aryl; Halogenated; Organoborons; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids

3,4-Difluorophenylboronic acid Uses

3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is used as intermediates of liquid crystals.

3,4-Difluorophenylboronic acid Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 37/39-26-36
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:Wear suitable protective clothing.
Hazard Note: Irritant

3,4-Difluorophenylboronic acid Specification

3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is also named as (2,4-Difluorophenyl)boronic acid ; Boronic acid, B-(2,4-difluorophenyl)- ; (2,4-Difluorophenyl)Boranediol ; 2,4-Difluorobenzeneboronic acid ; 2,4-Difluorophenylboronic acid . 3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is white powder.

Product Name

3,4-Difluorophenylboronic acid

Synthetic route

3,4-Difluorophenylboronic acid Chemical Properties

3,4-Difluorophenylboronic acid Uses

3,4-Difluorophenylboronic acid Safety Profile

3,4-Difluorophenylboronic acid Specification

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