Hot Products

Basic Information

Post buying leads

Suppliers

Cas Database

Name	1-Methylpyrazole-4-boronic acid pinacol ester	EINECS	616-293-9
CAS No.	761446-44-0	Density	1.05 g/cm³
PSA	36.28000	LogP	0.71930
Solubility	Slightly soluble in water.	Melting Point	59-64 °C(lit.)
Formula	C₁₀H₁₇BN₂O₂	Boiling Point	308.3 °C at 760 mmHg
Molecular Weight	208.068	Flash Point	140.3 °C
Transport Information	N/A	Appearance	white to light yellow crystal powder
Safety	26-36-37/39	Risk Codes	22-36/37/38
Molecular Structure		Hazard Symbols	Xn, F, Xi
Synonyms	1H-Pyrazole,1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;	Article Data	22

1-Methylpyrazole-4-boronic acid pinacol ester Synthetic route

: 269410-08-4
pyrazole-4-boronic acid pinacol ester

: 74-88-4
methyl iodide

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0 - 20℃; for 4h;	93%
With sodium hydride In tetrahydrofuran at 20℃;	90%
With caesium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 3h;	72%
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 60℃; for 8h; Inert atmosphere;	63%

: 76-09-5
2,3-dimethyl-2,3-butane diol

: 847818-55-7
(1-methyl-1H-pyrazol-4-yl)boronic acid

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With 4 A molecular sieve In tetrahydrofuran at 20℃; for 2h;	80%
With alkaline lipase In tetrahydrofuran; ethanol at -15 - -10℃; for 12h; Concentration; Reagent/catalyst; Molecular sieve; Large scale; Enzymatic reaction;	92.5 kg

: 930-36-9
1-methyl-1H-pyrazole

: 76-09-5
2,3-dimethyl-2,3-butane diol

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: 1-methyl-1H-pyrazole With n-butyllithium Stage #2: With Trimethyl borate In tetrahydrofuran at -90℃; Stage #3: 2,3-dimethyl-2,3-butane diol In tetrahydrofuran	80%

: 15803-02-8
4-bromo-1-methyl-1H-pyrazole

: 73183-34-3
bis(pinacol)diborane

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 100℃; for 5h; Inert atmosphere;	27.1%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 100℃; for 12h; Suzuki-Miyaura Coupling;

: 269410-08-4
pyrazole-4-boronic acid pinacol ester

: 74-83-9
methyl bromide

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile Inert atmosphere;

: 76-09-5
2,3-dimethyl-2,3-butane diol

: 22038-72-8, 26981-93-1, 51943-20-5
methyldiazene

: C19H43BN2O4

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene Reflux;

: 35852-81-4
4-chloro-1-methyl-1H-pyrazole

: 73183-34-3
bis(pinacol)diborane

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With potassium phosphate tribasic heptahydrate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); XPhos In ethanol at 20℃; for 2h;

: 39806-90-1
4-iodo-1-methyl-1H-pyrazole

: 61676-62-8
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: 4-iodo-1-methyl-1H-pyrazole With isopropylmagnesium chloride; lithium chloride In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran at 0 - 20℃; for 1.5h;	1 g

: 930-36-9
1-methyl-1H-pyrazole

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

A: 847818-74-0
1-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

B: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In hexane at 20℃; Glovebox; Inert atmosphere; Stage #2: With 4,4'-di-tert-butyl-2,2'-bipyridine In hexane at 20℃; Glovebox; Inert atmosphere; Stage #3: 1-methyl-1H-pyrazole In hexane at 20℃; for 5h; Reagent/catalyst; Solvent; Glovebox; Inert atmosphere; Overall yield = 67 percent; regioselective reaction;

Yield

Stage #1: 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In hexane at 20℃; Glovebox; Inert atmosphere;
Stage #2: With 4,4'-di-tert-butyl-2,2'-bipyridine In hexane at 20℃; Glovebox; Inert atmosphere;
Stage #3: 1-methyl-1H-pyrazole In hexane at 20℃; for 5h; Reagent/catalyst; Solvent; Glovebox; Inert atmosphere; Overall yield = 67 percent; regioselective reaction;

: 269410-08-4
pyrazole-4-boronic acid pinacol ester

methyl halide: methyl halide

: 761446-44-0
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile

1-Methylpyrazole-4-boronic acid pinacol ester Chemical Properties

Molecule structure of 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS NO.761446-44-0):

IUPAC Name: 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Molecular Weight: 208.06518 g/mol
Molecular Formula: C₁₀H₁₇BN₂O₂
Density: 1.05 g/cm³
Melting Point: 59-64 °C(lit.)
Boiling Point: 308.3 °C at 760 mmHg
Flash Point: 140.3 °C
Index of Refraction: 1.505
Molar Refractivity: 58.29 cm³
Molar Volume: 196.4 cm³
Surface Tension: 32.1 dyne/cm
Enthalpy of Vaporization: 52.71 kJ/mol
Vapour Pressure: 0.00125 mmHg at 25 °C
Storage Temp.: refrigerator (+4 °C)
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 208.138308
MonoIsotopic Mass: 208.138308
Topological Polar Surface Area: 36.3
Heavy Atom Count: 15
Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C
InChI: InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3
InChIKey: UCNGGGYMLHAMJG-UHFFFAOYSA-N
Product Categories of 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS NO.761446-44-0): Organoborons;Pyrazole;Boronic acid;Heterocyclic Building Blocks

1-Methylpyrazole-4-boronic acid pinacol ester Safety Profile

Hazard Codes: Harmful Xn, Flammable F, Irritant Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant/Flammable
HazardClass: IRRITANT

1-Methylpyrazole-4-boronic acid pinacol ester Specification

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS NO.761446-44-0) is also named as 1H-pyrazole, 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- ; 1-Methyl-1H-pyrazole-4-boronic acid, pinacol ester ; 1-Methyl-4-pyrazoleboronic acid pinacol ester ; 1-Methylpyrazole-4-Boronic Acid Pinacol Ester . 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS NO.761446-44-0) is white to light yellow crystal powder.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 761446-44-0