Trimethyloxonium tetrafluoroborate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:420-37-1

MDL number:MFCD00011798

EINECS number:206-994-4

RTECS number:None

BRN number:3597303

PubChem number:24856967

Physical property data

Character: white crystal

Density (g/mL, 25/4℃): Not available

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): 200

Boiling point (ºC, normal Pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refractive index: Not available

Flash point (ºC): Not available

Specific rotation (º): Not available

Autoignition point or Ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC ): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available

Log value of oil-water (octanol/water) partition coefficient: Not available

Upper limit of explosion (%, V/V): Not available

Lower limit of explosion (%, V/V): Not available

Solubility: Not available

Toxicological data

2. Toxicological data:

Acute toxicity: Not available.

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. RotatableNumber of �� bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 1

7. Number of heavy atoms :9

8. Surface charge: 0

9. Complexity: 27.1

10. Number of isotope atoms: 0

11 .Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None yet

Storage method

None yet

Synthesis method

1. Install a mechanical stirrer on the 500 ml three-neck flask, connect the T-shaped tube to the mineral oil bubble meter and the Dewar condenser of the nitrogen source, and connect the dry dimethyl ether The source of air is introduced into the tube. The bottle contains 80 ml of methylene chloride and 38.4 g (3 ml, 0.27 mol) of boron trifluoride ether solution. After a nitrogen atmosphere has been created in the bottle, the condenser is filled with a dry ice-acetone mixture. .With gentle stirring, pass dimethyl ether through the solution until approximately 75 ml has been collected. Change the gas introduction tube to a constant pressure funnel, and add 28.4 grams (24 ml, 0.307 mol) of epichlorohydrin dropwise within 15 minutes under vigorous stirring. Stir the mixture overnight under nitrogen (the dry ice in the condenser does not need to be replaced after the initial 2 to 3 hours of stirring). Replace the stirrer with a filter rod. While the mixture is still filled with nitrogen, suck out the supernatant from the mixture and use two portions of the remaining oxygen anchor salt. Wash with 100 liters of dry dichloromethane and two 100 ml portions of dry sodium ether. Then nitrogen gas is passed onto the oxygen salt to take away the ether until the smell of ether is no longer noticeable. Obtained 28-29 grams (92.5-96.5%) of self-colored crystals.

Purpose

1. Used for the oxidation of hydroxyl groups to synthesize marine natural products.

2.Strong methylating reagent. Preparation of A-acetoxyketone. Deprotection of thioacetals.