2-Chloro-5-methoxyphenylboronic acid
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2-Chloro-5-methoxyphenylboronic acid
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CAS No:
89694-46-2
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Formula:
C7H8BClO3
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Chemical Name:
2-Chloro-5-methoxyphenylboronic acid
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Synonyms:
2-CHLORO-5-METHOXYPHENYL BORONIC ACID;(2-CHLORO-5-METHOXY)BENZENEBORONIC ACID;2-Chloro-5-Methoxyphenyl;2-Chloro-5-methoxyphenyl boronic acid ,98%;Boronic acid, B-(2-chloro-5-Methoxyphenyl)-;3-Borono-4-chloroanisole
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CAS No:
Characteristics
49.7
White to off-white Crystalline Powder
1.3±0.1 g/cm3
106-110
354.8°C at 760 mmHg
168.4±30.7 °C
1.545
Safety Information
IRRITANT
36/37/38-22
26-36/37/39-37/39
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|H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-5-methoxyphenylboronic acid Use and Manufacturing
General procedure: Substituted 2-iodoaniline 1 (1.0 eq.), substituted phenylboronicacid 2 (1.2 eq.), K2CO3 (3.0 eq.), tetrabutylammonium bromide (0.1eq.), PdCl2(dppf) (0.1 eq.) and dioxane/H2O (9:1) (0.5 M) wereadded to a 10 mL microwave-vial. The vial was sealed with a capand placed in a Cem Discover-microwave cavity. After irradiation at130 C for 1 h and subsequent cooling, the solvent was removed invacuo. The residue was taken up into EtOAc (30 mL) and washedonce withwater and brine. The organic layerwas dried over MgSO4, filtered, and concentrated. The crude product was purified by flashcolumn chromatography using 0e10percent EtOAc/petroleum benzine togive the biphenylamine product 3a-3aa.To a solution of N, N-diethyl-2-iodo-6-(methoxymethoxy)benzamide (18)(0.726 g, 2.0 mmol) and
Computed Properties
Molecular Weight:186.40
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:186.0255020
Monoisotopic Mass:186.0255020
Topological Polar Surface Area:49.7
Heavy Atom Count:12
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-5-methoxyphenylboronic acid
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