Toluene diisocyanate manufacturer Knowledge Ethyl bromopyruvate Ethyl bromopyruvate

Ethyl bromopyruvate Ethyl bromopyruvate

Structural formula

Business number 01G1
Molecular formula C5H7BrO3
Molecular weight 195.01
label

Ethyl bromopyruvate,

BrCH2COCOOC2H5

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 yellow transparent liquid ethyl bromopyruvate (1)56.8g, 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.                      

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/39281

author:

Previous article
Next article
Contact Us

Contact us

+86 - 152 2121 6908

Online consultation: QQ交谈

E-mail: sales@newtopchem.com

Working hours: Monday to Friday, 9:00-17:30, closed on holidays
Follow wechat
Scan wechat and follow us

Scan wechat and follow us

Back to top
Home
E-mail
Products
Search