3,5-Dimethylisoxazole-4-boronic acid
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3,5-Dimethylisoxazole-4-boronic acid
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CAS No:
16114-47-9
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Formula:
C5H8BNO3
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Chemical Name:
3,5-Dimethylisoxazole-4-boronic acid
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Synonyms:
CHEMBRDG-BB 3200973;AKOS BRN-0206;3,5-DIMETHYISOXAZOLE-4-BORONIC ACID;3,5-DIMETHYL-4-ISOXAZOLYLBORONIC ACID;3,5-DIMETHYL-4-ISOXAZOLEBORONIC ACID;3,5-DIMETHYLISOXAZOLE-4-BORONIC ACID;(3,5-DIMETHYLISOXAZOL-4-YL)BORONIC ACID;TIMTEC-BB SBB004160
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CAS No:
Characteristics
66.5
-1.02880
White to light yellow crystal powder
1.23±0.1 g/cm3(Predicted)
108-113 °C
334.0±52.0 °C(Predicted)
155.8±30.7 °C
1.486
0-6°C
0mmHg at 25°C
Safety Information
IRRITANT, KEEP COLD
NONH for all modes of transport
nwg
36/37/38-20/21/22
36/37/39-3-26-36
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 (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.
3,5-Dimethylisoxazole-4-boronic acid Use and Manufacturing
Intermediate 106: (3, 5-Dimethyl-1, 2-oxazol-4-yl) boronic acidTo a 500 mL three RB flask fitted with magnetic stirrer was charged 4-bromo-3, 5- dimethyl-1 , 2-oxazole(4.0g, 22.7 mmol) in THF(40 mL), cooled -78 °C. To the stirred solvent was added n-butyl lithium (28.4 mL, 1.6M solution, 45.0 mmol) drop wise and stirred at - 65 °C about 30 minutes. The RM was brought to -78 °C, was added tri-isopropyl borate (12.81 g, 68.0 mmol), once the temperature to reached room temperature and stirred about 16h. Then removed the solvent under reduced pressure and quenched with saturated NH
Computed Properties
Molecular Weight:140.94
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:141.0597233
Monoisotopic Mass:141.0597233
Topological Polar Surface Area:66.5
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3,5-Dimethylisoxazole-4-boronic acid
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CN
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CN
1 YR
Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 16114-47-9Grade: Pharmaceutical GradeContent: 99% -
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3,5-Dimethylisoxazole-4-boronic acid
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