2,6-DICHLOROPHENYLBORONIC ACID
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2,6-DICHLOROPHENYLBORONIC ACID
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CAS No:
73852-17-2
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Formula:
C6H5BCl2O2
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Chemical Name:
2,6-DICHLOROPHENYLBORONIC ACID
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Synonyms:
RARECHEM AH PB 0089;2,6-DICHLOROPHENYLBORONIC ACID;2,6-DICHLOROBENZENEBORONIC ACID;AKOS BRN-0086;2,6-Dichlorophenylboronic;3,6-DICHLOROPHENYLBORONICACID;2,6-Dichlorophenylboronic Acid (contains varying amounts of Anhydride);2,6-Dichlorophenylboronic acid,98%
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CAS No:
2,6-DICHLOROPHENYLBORONIC ACID Basic Attributes
190.82
189.975967
4802506
-0
DTXSID30370223
29319090
Characteristics
40.5
0.67320
Off-white Powder
1.5±0.1 g/cm3
153 °C
341.8°C at 760 mmHg
160.5±30.7 °C
1.577
Insoluble in water.
Safety Information
IRRITANT
36/37/38-22-36
26-36-37/39
Xi,Xn
Irritant
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 (22.45%): 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 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,6-DICHLOROPHENYLBORONIC ACID Use and Manufacturing
(1) Lithiation: under the protection of nitrogen, First in a 1000mL three-necked flask, Add 50g of 1, 3-dichlorobenzene and cool to -80~-60°C.Then add 176 mL of n-butyl lithium dropwise.The dropping process is maintained at -80 to -50 ° C.After the completion of the dropwise addition, the reaction was kept for 2 hours.(2) Lithium-hydrogen exchange:117 g of tributyl borate liquid was added dropwise to the solution of the above-obtained phenyl lithium, After the addition is completed, the heat retention reaction is carried out.After the reaction, the reaction system was stirred by adding hydrochloric acid having a mass concentration of 10percent.Then let go of the layering, Extracted, Combine the organic layers, Desolvent, Hydrating succinol to obtain 51.7 g of crude 4-phenoxybenzeneboronic acid in a yield of 80percent;(3) Purification:51.7 g of crude 4-phenoxyphenylboronic acid was added to a 1 L three-necked flask.Add 200 mL of methyl tert-butyl ether to dissolve, Desolvent, Cooling, crystallization, and centrifugation gave 48.4 g of 4-phenoxybenzeneboronic acid product in a yield of 75percent.
suzuki reaction
Computed Properties
Molecular Weight:190.82
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.9759650
Monoisotopic Mass:189.9759650
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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