ethyl bromopyruvate

structural formula

business number	01g1
molecular formula	c5h7bro3
molecular weight	195.01
label	ethyl bromopyruvate, brch2cocooc2h5

• 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:70-23-5

mdl number:mfcd00000204

einecs number:200-729-6

rtecs number:none

brn number:1760158

pubchem id:none

physical property data

1. properties: colorless liquid.

2. density (g/ml, 25/4℃): 1.56

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 1.33kpa): 98～ 100

7. refractive index: 1.4690

8. flash point (ºc): 98

9. specific rotation (º): undetermined

p>

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v /v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 34.74

2. molar volume (cm³/mol): 124.8

3. isotonic specific volume (90.2k ): 313.0

4. surface tension (dyne/cm): 39.5

5. polarizability (10-24cm3): 13.77

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.2

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: 2

6. topological molecule polar surface area 43.4

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 121

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: 1

properties and stability

none

storage method

this product should be sealed with nitrogen and protected from light at 0~4℃.save.

synthesis method

1. obtained from ethyl lactate through oxidation and bromination: ethyl lactate, nbs (n-bromododecimide) and tetrachloride add carbon dioxide into a dry reaction pot and heat to reflux for 5.5 hours while stirring. cool and filter, evaporate the carbon tetrachloride from the filtrate, distill under reduced pressure, and collect the 71~73°c (0.67kpa) fraction, which is ethyl bromopyruvate.

2. preparation method:

into a reaction bottle equipped with a stirrer, thermometer, and reflux condenser, add 66g (0.56mol) of freshly steamed ethyl lactate (2), 900ml of carbon tetrachloride, and 200g of nbs ( 1.14mol), heated to (77±1)°c in a water bath, stirred and refluxed for 5 to 6 hours, until the reaction solution changed from red to orange. hydrogen bromide gas is released during the reaction. place in ice-salt bath overnight and filter out succinimide. after the filtrate is distilled under normal pressure to recover carbon tetrachloride, it is distilled under reduced pressure and the fraction at 71~73℃/0.67kpa is collected to obtain a yellow transparent liquid ethyl bromopyruvate (1)^①56.8g, the yield is 52%. nd²⁵1.465～1.4673. note: ① it has a strong tear-inducing effect. store it in a refrigerator after being airtight. ^[1]

purpose

organic synthesis.                      

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