2-ISOPROPOXYPHENYLBORONIC ACID
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2-ISOPROPOXYPHENYLBORONIC ACID
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CAS No:
138008-97-6
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Formula:
C9H13BO3
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Chemical Name:
2-ISOPROPOXYPHENYLBORONIC ACID
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Synonyms:
2-ISOPROPOXYPHENYLBORONIC ACID;2-ISOPROPOXYBENZENEBORONIC ACID;AKOS BRN-0366;2-Isopropoxybenzeneboronic acid 95%;2-Isopropoxyphenylboronic acid ,95%;2-Isopoxybenzenboronic acid;2-Isopoxybenzeneboronic acid;2-(Propan-2-yloxy)phenylboronic acid
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CAS No:
Characteristics
49.7
0.15360
White to off-white Crystalline Powder
1.075 g/mL at 25 °C(lit.)
30-35 °C(lit.)
199 °C(lit.)
>230 °F
n 20/D >1.5090(lit.)
Keep Cold
5.98E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
Xi
Irritant
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-ISOPROPOXYPHENYLBORONIC ACID Use and Manufacturing
Under an argon atmosphere, in a Schlenk bottle, Charge 1 mmol of bis[3, 5-bis(trifluoromethyl)phenyl](2-bromoacenaphthylen-1-yl)phosphane and 1.2 mmol of A mixture of 5-bromo-6-chloro-2-(4-((cyclopropylmethyl)sulfonyl)benzyl)-1H- benzo[d]imidazole (step 5) (439 mg, 1 mmol), A mixture of 4-bromo-5-chlorobenzene-1, 2-diamine (1.1 g, 5.0 mmol), (2- isopropoxyphenyl)boronic acid (1.1 g, 6.1 mmol), tris-(dibenzylideneacetone) dipalladium(0) (454 mg), tri(tert-butyl)phosphonium tetrafluoroboronate (288 mg) and sodium carbonate (1.8 g 14.5 mmol) in 1, 4-dioxane (100 ml) and water (10 mL) was degassed, heated to 90 C under for 3h. The volatile solvents were removed under reduced pressure. The residue was directly loaded onto a ISCO solid cartridge and flashed with hexane/ethyl acetate to afford a white solid product 1.1 g (80% yield), MS (+) ES: 277 (M+H)+.
Computed Properties
Molecular Weight:180.01
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.0957744
Monoisotopic Mass:180.0957744
Topological Polar Surface Area:49.7
Heavy Atom Count:13
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-ISOPROPOXYPHENYLBORONIC ACID
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Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 138008-97-6Grade: Pharmaceutical GradeContent: 99%
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