2-Chloro-5-fluorobenzeneboronic acid
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2-Chloro-5-fluorobenzeneboronic acid
structure -
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CAS No:
444666-39-1
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Formula:
C6H5BClFO2
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Chemical Name:
2-Chloro-5-fluorobenzeneboronic acid
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Synonyms:
2-CHLORO-5-FLUOROPHENYLBORONIC ACID;2-CHLORO-5-FLUOROBENZENEBORONIC ACID;2-Chloro-5-Fluorophenylboronic;2-Chloro-5-fluorobenzeneboronic acid 98%;2-Chloro-5-fluorobenzeneboronicacid98%;2-Chloro-5-fluorophenylboronic Acid (contains varying aMounts of Anhydride)
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CAS No:
Characteristics
40.5
0.15890
1.4±0.1 g/cm3
78-82
309.1°C at 760 mmHg
140.7±30.7 °C
1.533
soluble in methanol.
Safety Information
IRRITANT
36/37/38
26-36
Xi
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 (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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-5-fluorobenzeneboronic acid Use and Manufacturing
2-(((6-chloropyridazin-3-yl)oxy)methyl)-7-azaspiro[3.5]nonane-7- carboxylate (419 mg, 1.14 mmol), tert-Butyl l-(((6-chloropyridazin-3-yl)oxy)methyl)-6- azaspiro[2.5]octaiie-6-carboxyiate (541 mg, 1.53 mmol), 2-chioro-5-fluorophenyiboronic acid (320 mg, 1.83 mmol), K2C03 (643 mg, 4.59 mmol) and RuPhos-Pd-G3 (128 mg, 0.15 mmol) were combined in a microwave vial, and 5: 1 l, 4-dioxanes/H20 solution (12 mL, degassed) was added under an inert atmosphere. The resulting mixture was heated under microwave irradiation at 120 C for 20 min, after winch time the reaction mixture was diluted with DCM and sat. (0634) NaHCOj. The aqueous layer was extracted with DCM, and combined organic extracts were dried with MgS04. Solvents were filtered and concentrated under reduced pressure, and crude residue was purified by column chromatography (hex EtOAc) to give the title compound as a white foamy solid (290 mg, 42% (89% purity)). ( M l -Boc] · = 348.2.To a 5 mL microwave vial was added tert-butyl l-(((6- chloropyridazin-3-yl)amino)methyl)-6-azaspiro[2.5]octane-6-carboxylate (199 nig, 0.56 mmol),
Computed Properties
Molecular Weight:174.37
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:174.0055154
Monoisotopic Mass:174.0055154
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-5-fluorobenzeneboronic acid
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