Pyrazole-4-boronic acid pinacol ester supplier

Name
Pyrazole-4-boronic acid pinacol ester
EINECS -0
CAS No. 269410-08-4
Article Data25
CAS DataBase
Density 1.091 g/cm³
Solubility insoluble in water
Melting Point 142-146 °C(lit.)
Formula C₉H₁₅BN₂O₂
Boiling Point 335.373 °C at 760 mmHg
Molecular Weight 194.041
Flash Point 156.628 °C
Transport Information
Appearance Off-white to tan powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi, F
Synonyms 1H-Pyrazole-4-boronicacid pinacol ester;4,4,5,5-Tetramethyl-2-(1H-pyrazol-2-yl)-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(pyrazol-4-yl)-1,3,2-dioxaborolane;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;Pyrazol-4-ylboronicacid pinacol ester;
PSA 47.14000
LogP 0.70890

Synthetic route

: 1029716-44-6
1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

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

Conditions

Conditions	Yield
With hydrogenchloride; 2,3-dimethyl-2,3-butane diol In water at 10 - 25℃; for 4.083h;	94%
With hydrogenchloride; 2,3-dimethyl-2,3-butane diol In tert-butyl methyl ether; 1,2-dichloro-ethane at 0 - 20℃; Large scale;	77.3%
With hydrogenchloride; 2,3-dimethyl-2,3-butane diol In tert-butyl methyl ether; 1,2-dichloro-ethane at 0 - 20℃; Large scale;	77.3%

: 2075-45-8
4-bromo-1H-pyrazole

: 73183-34-3
bis(pinacol)diborane

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

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; tetrabutylammomium bromide; potassium carbonate In 1,4-dioxane for 12h; Inert atmosphere; Reflux;	94%
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In N,N-dimethyl-formamide at 100℃;	25%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 80℃; Inert atmosphere;
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 80℃; Miyaura Borylation Reaction; Inert atmosphere;
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 80℃; Miyaura Borylation Reaction; Inert atmosphere;

: 288-13-1
NH-pyrazole

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

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

Conditions

Conditions	Yield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin In tetrahydrofuran at 80℃; for 4h; Inert atmosphere; Glovebox; regioselective reaction;	88%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin In tetrahydrofuran at 80℃; for 4h; Schlenk technique; Inert atmosphere;	67%

: 15878-00-9
4-chloro-1H-pyrazole

: 73183-34-3
bis(pinacol)diborane

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

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 0.5h;	88%

: 552846-17-0
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate

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

Conditions

Conditions	Yield
at 180℃;	80.2%
at 180℃; for 0.0833333h;	72%

: 121669-70-3
4-iodo-1H-pyrazole-1-carboxylic acid tert-butyl ester

: 557087-01-1
2-dimethylamino-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

Conditions

Conditions	Yield
With iPrBu2MgLi In 2-methyltetrahydrofuran at -20 - -10℃; Large scale;	79%

: 557087-01-1
2-dimethylamino-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 1150271-23-0
4-bromopyrazole-1-carboxylic acid tert-butyl ester

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

Conditions

Conditions	Yield
With n-Bu3MgLi In tetrahydrofuran at -20 - -10℃; Large scale;	76%

: 288-13-1
NH-pyrazole

: 73183-34-3
bis(pinacol)diborane

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

Conditions

Conditions	Yield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin In tetrahydrofuran at 80℃; for 21h; Inert atmosphere; Glovebox;	56%

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

: 1-trimethylsilyl-4-iodopyrazole

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

Conditions

Conditions	Yield
Stage #1: 4-iodo-1-trimethylsilylpyrazole With isopropylmagnesium chloride In tetrahydrofuran at -6 - 0℃; Inert atmosphere; Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	54.8%
Stage #1: 4-iodo-1-trimethylsilylpyrazole With isopropylmagnesium chloride In tetrahydrofuran at -6 - 0℃; for 0.166667h; Inert atmosphere; Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere; Stage #3: With water; ammonium chloride In tetrahydrofuran at -6 - 0℃;	54.8%
Stage #1: 4-iodo-1-trimethylsilylpyrazole With isopropylmagnesium chloride In tetrahydrofuran at -6 - 0℃; for 0.166667h; Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran at 0 - 20℃; for 2.17h;	54.8%

: 3469-69-0
4-iodopyrazole

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

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

Conditions

Conditions	Yield
Stage #1: With triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane at 80℃; for 18h; Stage #2: 4-iodopyrazole; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In 1,4-dioxane at 80℃; for 18h;

: 3469-69-0
4-iodopyrazole

: 1195-66-0
2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

Conditions

Conditions	Yield
Stage #1: 4-iodopyrazole With isopropylmagnesium chloride In tetrahydrofuran at -10℃; for 2.5h; Inert atmosphere; Stage #2: 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;

: 73183-34-3
bis(pinacol)diborane

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / ethanol / 16 h / Inert atmosphere; Reflux 2: 180 °C View Scheme

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

: 959756-24-2
3-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-tert-butoxycarbonyl-amino]benzoic acid ethyl ester

: 959756-25-3
3-{tert-butoxycarbonyl-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-amino}benzoic acid ethyl ester

Conditions

Conditions	Yield
With potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 115℃; for 0.416667h;	100%

: 930-37-0
glycidyl methyl ether

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

: 1000801-77-3
1-methoxy-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol

Conditions

Conditions	Yield
at 98℃; for 4h;	100%

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

: 1153949-11-1
3-(cyanomethylene)azetidine-1-carboxylic acid tert-butyl ester

: 1153949-15-5
tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 50℃;	100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In isopropyl alcohol Reflux; Inert atmosphere;	90.5%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In isopropyl alcohol Reflux;	90.5%

: 75-30-9
2-iodo-propane

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

: 879487-10-2
1-isopropylpyrazole-4-boronic acid pinacol ester

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 90℃; for 16h; Inert atmosphere;	100%
With caesium carbonate In N,N-dimethyl-formamide at 90℃; for 16h;	61.72%
With caesium carbonate In N,N-dimethyl-formamide at 0 - 20℃;	57%

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

: 1182357-90-9
3-{[tert-butyl(dimethyl)silyl]oxy}-2-fluoropropyltrifluoromethanesulfonate

: 1309960-93-7
(3-{[tert-butyl(dimethyl)silyl]oxy}-2-fluoropropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: pyrazole-4-boronic acid pinacol ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Inert atmosphere; Stage #2: 3-{[tert-butyl(dimethyl)silyl]oxy}-2-fluoropropyltrifluoromethanesulfonate In N,N-dimethyl-formamide; mineral oil for 0.333333h; Inert atmosphere;	100%

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

: 627-42-9
2-chloroethyl methyl ether

: 847818-71-7
1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 0.5h; Microwave irradiation;	100%
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 0.5h; Microwave irradiation;	100%
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 0.5h; microwave irradiation;	72%
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 0.5h; Microwave irradiation;	72%

: 90892-09-4
bromoacetopyrrolidine

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

: 1534350-51-0
1-(pyrrolidin-1-yl)-2-(4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethan-1-one

Conditions

Conditions	Yield
In acetonitrile at 20℃;	100%

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

: 407-12-5
2-(2,2,2-trifluoroethyl)oxirane

: 4,4,4-trifluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)butan-2-ol

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80℃;	100%

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

: (2R,5R)-tert-butyl 5-methyl-2-(((methylsulfonyl)oxy)methyl)morpholine-4-carboxylate

: tert-butyl (2R,5R)-5-methyl-2-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)morpholine-4-carboxylate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 24h;	100%

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

: tert-butyl ((1S,3S,4R)-3-benzyl-4-(3-(hydroxymethyl)phenoxy)cyclopentyl)carbamate

: tert-butyl ((1S,3S,4R)-3-benzyl-4-(3-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)phenoxy)cyclopentyl)carbamate

Conditions

Conditions	Yield
With tributylphosphine; diamide In toluene at 20℃; Mitsunobu Displacement; Sonication;	100%
With tributylphosphine; diamide In toluene at 20℃; Inert atmosphere;	100%

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

: 3-hydroxylmethyl oxetane

: 1578484-07-7
1-(oxetan-3-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With cyanomethylenetributyl-phosphorane In 1,4-dioxane at 150℃; for 0.75h; Microwave irradiation;	100%

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

: 24424-99-5
di-tert-butyl dicarbonate

: 552846-17-0
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate

Conditions

Conditions	Yield
With dmap In N,N-dimethyl-formamide at 0 - 20℃;	99%
With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	99.68%
With dmap In dichloromethane at 20℃; for 4h;	85%

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

: 107-04-0
1-Bromo-2-chloroethane

: 877149-79-6
1-(2-chloroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 70℃; for 6h;	99%
With caesium carbonate In acetonitrile at 62℃; for 4h;	90%
With caesium carbonate In acetonitrile at 75℃; for 5h;	88%
With caesium carbonate In acetonitrile at 75℃; for 5h;

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

: 4-(bromomethyl)-1-methyl-1H-pyrazole hydrobromide

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

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 60℃; for 1h;	99%

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

: 577-19-5
2-nitrophenyl bromide

: 4-(2-nitrophenyl)pyrazole

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide	98.5%

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

: 108-86-1
bromobenzene

: 10199-68-5
4-phenyl-1H-pyrazole

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate; palladium dichloride In N,N-dimethyl-formamide at 130℃; for 16h; Inert atmosphere;	98%

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

: tert-butyl (3-bromo-1-((1s,4s)-4-((1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy)cyclohexyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)(methyl)carbamate

: tert-butyl methyl(1-((1s,4s)-4-((1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy)cyclohexyl)-3-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl)carbamate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane at 90℃; for 12h; Inert atmosphere; Sealed tube;	98%

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

: 109-92-2
ethyl vinyl ether

: 1029716-44-6
1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: pyrazole-4-boronic acid pinacol ester; ethyl vinyl ether With hydrogenchloride In 1,4-dioxane; toluene at 35 - 40℃; Inert atmosphere; Stage #2: With sodium hydrogencarbonate In 1,4-dioxane; toluene for 1h; Product distribution / selectivity;	97.3%
With hydrogenchloride In 1,4-dioxane; toluene at 35℃; Inert atmosphere;	90%
In toluene at 35℃; for 13h; Inert atmosphere;

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

: 3196-15-4, 69043-96-5
Methyl 2-bromobutyrate

: methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)butanoate

Conditions

Conditions	Yield
With caesium carbonate In Petroleum ether	97%

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

: 4584-46-7
(2-chloroethyl)dimethylamine hydrochloride

: 877149-80-9
N,N-dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethan-1-amine

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 5h; Reflux;	95%
With caesium carbonate In acetonitrile at 90℃;	88%
With caesium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 72.5h;	66%

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

: 1417620-53-1
ethyl 3-(2-(((trifluoromethyl)sulfonyl)oxy)naphthalene-1-yl)propanoate

: 1426148-40-4
ethyl 3-(2-(1H-pyrazol-4-yl)naphthalen-1-yl)propanoate

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In 1,4-dioxane for 4h; Suzuki-Miyaura Coupling; Reflux;	95%

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

: 8-bromo-N-tert-butyl-1-(3,5-dichlorophenyl)-7-methoxy-N-methyl-1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

: N-tert-butyl-1-(3,5-dichlorophenyl)-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 90℃; for 1h; Inert atmosphere; Microwave irradiation;	95%

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

: 106-95-6
allyl bromide

: 1000801-78-4
1-allyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran at 70℃;	94%
With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 1h; Microwave irradiation;	39%

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

: 22115-41-9
2-(bromomethyl)benzonitrile

: 930596-18-2
C17H20BN3O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 72h; Heating / reflux;	94%

: 110-87-2
3,4-dihydro-2H-pyran

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

: 1003846-21-6
1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With trifluoroacetic acid In toluene at 90℃; for 2h;	94%
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 4h;	90%
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 4h;	90%

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

: 824-94-2
p-methoxybenzyl chloride

: 1105039-88-0
1-(4-methoxybenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; for 5h;	94%
With potassium carbonate In acetonitrile at 80℃; for 5h;	91%
With potassium carbonate In acetonitrile at 60℃; for 15h;	73.3%
With potassium carbonate In acetonitrile at 80℃; for 5h;
With caesium carbonate In acetonitrile for 4h; Reflux;

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

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 2-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 2.5h; Microwave irradiation;	94%

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

: tert-butyl (S)-3-((4-((1R,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-6-(trifluoromethanesulfonyloxy)-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl)amino)pyrrolidin-1-carboxylate

: tert-butyl (S)-3-((4-((1R,3R)-3-methyl-6-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl)amino)pyrrolidin-1-carboxylate

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In 1,4-dioxane; water at 80℃; for 16h; Inert atmosphere;	94%

Pyrazole-4-boronic acid pinacol ester Specification

The IUPAC name of 1H-Pyrazole,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. With the CAS registry number 269410-08-4, it is also named as 1H-Pyrazole-4-boronic acid, pinacol ester. The product's categories are Pyrazole Series; API Intermediates; Boronic acid. It is off-white to tan powder which is insoluble in water. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.14 Å²; (5)Index of Refraction: 1.487; (6)Molar Refractivity: 51.18 cm³; (7)Molar Volume: 177.841 cm³; (8)Polarizability: 20.29×10^-24 cm³; (9)Surface Tension: 37.054 dyne/cm; (10)Flash Point: 156.628 °C; (11)Enthalpy of Vaporization: 55.549 kJ/mol; (12)Boiling Point: 335.373 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25°C; (14)Rotatable Bond Count: 1; (15)Exact Mass: 194.122658; (16)MonoIsotopic Mass: 194.122658; (17)Topological Polar Surface Area: 47.1; (18)Heavy Atom Count: 14; (19)Complexity: 217.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:B1(OC(C(O1)(C)C)(C)C)c2c[nH]nc2
2. InChI:InChI=1/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)

Product Name

Pyrazole-4-boronic acid pinacol ester

Synthetic route

Pyrazole-4-boronic acid pinacol ester Specification

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