1-Boc-pyrazole-4-boronic acid pinacol ester
-
1-Boc-pyrazole-4-boronic acid pinacol ester
structure -
-
CAS No:
552846-17-0
-
Formula:
C14H23BN2O4
-
Chemical Name:
1-Boc-pyrazole-4-boronic acid pinacol ester
-
Synonyms:
1-BOC-PYRAZOLE-4-BORONIC ACID PINACOL ESTER, 97%;1-TERT-BUTOXYCARBONYL-4-1H-PYRAZOLBORONIC ACID PINACOL ESTER;N-Boc-pyrazole-4-boronic acid pinaxcol ester;1-BOC- 4-PYRAZOLEBORONIC ACID PINACOL ESTER;1-BOC-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER;1-Boc-4-pyrazoleboronicacidpinacolester,4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Boc-pyrazole,tert-Butyl4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolecarboxylate;TERT-BUTYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE CARBOX., 97%;1-tert-Butoxycarbonyl-4-1H-pyrazoleboronic acid
- Categories:
-
CAS No:
1-Boc-pyrazole-4-boronic acid pinacol ester Basic Attributes
294.16
294.175079
DTXSID80584474
2934999090
Characteristics
62.6
1.96550
White to beige Crystalline Powder
1.1±0.1 g/cm3
82-86 °C(lit.)
387.9°C at 760 mmHg
188.4±25.7 °C
1.502
H2O: insoluble
Refrigerator (+4°C)
Safety Information
3
36/37/38-22
22-24/25-37/39-26
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (42.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Boc-pyrazole-4-boronic acid pinacol ester Use and Manufacturing
4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl) 1H-pyrazole (1.16 g, 6.0mmol) in methylene chloride (40 mL) was added di-tert-butyl dicarbonate (1.58 g, 7.2 mmol), was added a catalytic amount of 4-dimethylaminopyridine (102 mg, 0.84 mmol), reaction at room temperature for 4 hours.Water was added to the system, extracted with ethyl acetate, washed with saturated aqueous sodium chloride, the organic Xiangde removed by rotary evaporation the crude product (1.5 g, 85percent yield).Di-tert-butyl dicarbonate (7.2 molar equivalent), 4-(dimethylamino)pyridine (0.84 molar equivalent) were added to a solution of 4, 4, 5, 5-tetramethyl-2-(1H-pyrazole-4-yl)-1, 3, 2-dioxaborolane (6 mmol) in 40 mL of DMF. The reaction mixture was stirred at room temperature for 12 h. Water was added to the reaction mixture to quench the reaction. EtOAc was then added to extract the aqueous solution. Dry EtOAc layer over Na2SO4. The Na2SO4 was filtered off and the filtrate was evaporated to give a brown yellow oil residue as compound 21-1 (1.32 g; 4.56 mmol; 76percent). 1H NMR (400 MHz, chloroform-D) δ ppm 1.32 (s, 12H) 1.63 (s, 9H) 7.91 (s, 1H) 8.37 (s, 1H). The residue was used for the next step reaction without further purification.To a mixture of 4-pyrazoleboronic acid pinacol ester (0.485 g, 2.5mmol) and DMAP (0.153 g, 1.25 mmol) in MeCN (12.5 ml) was added di-tert-butyldicarbonate (0.709 g, 3.25 mmol). The resulting mixture was stirred at rt for 18 h before itwas concentrated under reduced pressure. The obtained residue was purified by flashcolumn chromatography (silica gel, 0-10percent EtOAc in petroleum ether) to afford the titlecompound (0.473 g, 64percent yield) as a white solid. 1H NMR (400 MHz, CDCb) o 8.38 (s, 1 H), 7.92 (s, 1H), 1.64 (s, 9H), 1.33 (s, 12H).To a solution of 33a (l .Og, 5.15mmol) in CH
Computed Properties
Molecular Weight:294.16
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:294.1750874
Monoisotopic Mass:294.1750874
Topological Polar Surface Area:62.6
Heavy Atom Count:21
Complexity:404
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 1-Boc-pyrazole-4-boronic acid pinacol ester
-
![China]()
CN
5 YRS
Business licensedTrader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives -
![China]()
CN
5 YRS
Business licensed Certified factoryManufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED IntermediatesInquiryCAS No.: 552846-17-0Grade: Pharmaceutical GradeContent: 99% -
![China]()
CN
5 YRS
Business licensedTrader Supplier of PVC resin,pvc paste resin,melamineInquiryCAS No.: 552846-17-0Grade: Pharmaceutical GradeContent: 99%
Learn More Other Chemicals
-
3-CYCLOPROPYL-2-METHYL-3-OXO-PROPIONIC ACID ETHYL ESTER
21741-37-7
-
CYCLOPENTYL-CARBAMIC ACID PHENYL ESTER
58713-31-8
-
2'-Deoxy-N-trimethylsilyl-3'-O-trimethylsilylcytidine 5'-phosphoric acid bis(trimethylsilyl) ester
32645-72-0
-
4,6-Dichloro-1H-indole-2,3-dicarboxylic acid diethyl ester Formula
146012-24-0
-
2-[(2,6-Dichlorophenyl)sulfonyl]acetic acid ethyl ester Formula
1154228-17-7
-
Dibenzoic acid 2-ethylhexamethylene ester Formula
25724-54-3
-
1,4-DIBENZYL-7-PHENYL-6-THIOXO-1,4,7-TRIAZA-SPIRO[4.4]NON-8-ENE-9-CARBOXYLIC ACID ETHYL ESTER Structure
885722-38-3
-
4,5-Dichloro-8-methylquinoline-3-carboxylic acid ethyl ester Structure
1019462-72-6
-
What is 3-(2,6-DICHLORO-PHENYL)-5-ISOPROPYL-ISOXAZOLE-4-CARBOXYLIC ACID METHYL ESTER
278597-28-7
-
What is 3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)propyl ester
94617-34-2
1-Boc-pyrazole-4-boronic acid pinacol ester
SDSRequest for Quotation