2-CHLOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER
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2-CHLOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER
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CAS No:
1003845-08-6
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Formula:
C10H14BClN2O2
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Chemical Name:
2-CHLOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER
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Synonyms:
2-CHLOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER;2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;2-dioxaborolan-2-yl)pyriMidine;2-ChloropyriMidin-5-ylboronic acid pinacol ester
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CAS No:
2-CHLOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER Basic Attributes
258.50964
240.08400
DTXSID80679854
2934999090
Characteristics
44.2
Solid
1.19±0.1 g/cm3 (20 ºC 760 Torr)
65.0 to 69.0 °C
369.1±15.0 °C(Predicted)
Refrigerated.
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-CHLOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER Use and Manufacturing
34). Synthesis of 2-chloro-5-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-pyrimidine; To a solution of 5-bromo-2-chloro-pyrimidine (10 mmol, 1.93 g) and triisopropyl borate (12 mmol, 2.8 ml.) in toluene (16 ml) and THF (4 mi_) is added n-buty. lithium \r, hexane (1.58 M, 12 mmol, 7.6 mL) dropwise at -78 1) Synthesis of Intermediate 1-1 (0337) 1.93 g (10 mmol) of 5-bromo-2-chloropyrimidine was dissolved in 200 mL of THF, and then, at a temperature of −78° C., 4 mL (2.5M in hexane) of normal butyllithium was added thereto. At the same temperature about one hour thereafter, 2.0 mL (10 mmol) of 2-isopropoxy-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane was added thereto. At room temperature, the result was stirred for about 5 hours, and then, water was added thereto and a washing process was performed three times thereon using diethylether (100 mL). A washed diethylether layer was dried by using MgSO34). Synthesis of 2-chloro-5-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-pyrimidine; To a solution of 5-bromo-2-chloro-pyrimidine (10 mmol, 1.93 g) and triisopropyl borate (12 mmol, 2.8 ml.) in toluene (16 ml) and THF (4 mi_) is added n-buty. lithium \r, hexane (1.58 M, 12 mmol, 7.6 mL) dropwise at -78 1) Synthesis of Intermediate 1-1 (0337) 1.93 g (10 mmol) of 5-bromo-2-chloropyrimidine was dissolved in 200 mL of THF, and then, at a temperature of −78° C., 4 mL (2.5M in hexane) of normal butyllithium was added thereto. At the same temperature about one hour thereafter, 2.0 mL (10 mmol) of 2-isopropoxy-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane was added thereto. At room temperature, the result was stirred for about 5 hours, and then, water was added thereto and a washing process was performed three times thereon using diethylether (100 mL). A washed diethylether layer was dried by using MgSO
Computed Properties
Molecular Weight:240.50
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:240.0836856
Monoisotopic Mass:240.0836856
Topological Polar Surface Area:44.2
Heavy Atom Count:16
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-CHLOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER
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