Polyether_Polyether Polyol Knowledge Diethyl benzylmalonate

Diethyl benzylmalonate

Structural formula of diethyl benzylmalonate

Structural formula

Business number 069S
Molecular formula C14H18O4
Molecular weight 250.29
label

Diethyl benzylmalonate,

C6H5CH2CH(CO2C2H5)2

Numbering system

CAS number:607-81-8

MDL number:MFCD00009166

EINECS number:210-142-7

RTECS number:None

BRN number:615793

PubChem number:24848076

Physical property data

Physical property data:
1. Properties: colorless liquid

2. Boiling Point162-163(1.33kPa)


3. Relative density1.064


4. Refractive Index(nD20)1.4860

Toxicological data

None yet

Ecological data

3. Ecological data:


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

Molecular structure data


5. Molecular property data:


1 Molar refractive index:67.10


2 Molar volume (m3/mol):228.6


3 Isotonic specific volume (90.2K):569.4


4 Surface tension (dyne/cm):38.4


5, Polarizability (10-24cm3 ):26.60

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: 4

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 251

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


1. Properties: colorless Liquid.


Storage method

Storage:


Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

2. Preparation method: combine benzyl chloride, diethyl malonate,K3PO4·7H2O, tributylbenzyl ammonium bromide is put into the reactor according to the ingredients ratio , on65Stirring reaction5h. Cool, add distilled water to dissolve the inorganic salt, separate the organic phase, and dry over anhydrous potassium carbonate. Distill under reduced pressure and collect142-1451.2kPa) fraction to obtain benzylmalonate diethyl ester. Yield82%.

Purpose

3. Uses: local anesthetic propafenone (Propafenone).

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/21365

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