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Home > Encyclopedia > 3,5-Dimethylisoxazole-4-boronic acid

3,5-Dimethylisoxazole-4-boronic acid

3,5-Dimethylisoxazole-4-boronic acid structure

3,5-Dimethylisoxazole-4-boronic acid 

structure
  • CAS No:

    16114-47-9

  • Formula:

    C5H8BNO3

  • Chemical Name:

    3,5-Dimethylisoxazole-4-boronic acid

  • 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

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Description

White to light yellow crystal powde

3,5-Dimethylisoxazole-4-boronic acid Basic Attributes

140.93

141.059723

DTXSID20370237

29349990

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

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