Diethyl ethylmalonate
CAS NO. 133-13-1
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To begin with, let us tell you what is the basic information of Diethyl ethylmalonate CAS NO. 133-13-1?
|
Flash Point |
88.3±0.0 °C |
Molecular Weight |
188.221 |
|
Density |
1.0±0.1 g/cm3 |
Boiling Point |
211.7±0.0 °C at 760 mmHg |
|
Molecular Formula |
C9H16O4 |
Melting Point |
0°C |
Like many stuff, it has many synonyms as follows
|
EINECS 205-093-3 |
|
Malonic acid, ethyl-, diethyl ester |
|
Propanedioic acid, 2-ethyl-, diethyl ester |
|
diethyl 2-ethylpropanedioate |
|
Propanedioic acid, ethyl-, diethyl ester |
|
Diethyl 2-ethylmalonate |
|
Diethyl ethylmalonate |
|
Malonic acid, ethyl-, diethyl ester (8CI) |
| Diethyl ethyl malonate |
First, the chemical is very special, some technical indexes as below
1. Molecular property data:
1. Molar refractive index: 47.25
2. Molar volume (cm3/mol): 184.4
3. Isometric volume (90.2K): 437.0
4. Surface tension (3.0 dyne/cm): 31.5
5. Polarization rate (0.5 10-24cm3): 18.73
2. Computational Chemistry Data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 4
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: None
6. Topological molecule polarity surface area 52.6
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 159
10. Isotope atomic number: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units:
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of Diethyl ethylmalonate CAS NO. 133-13-1 as follows
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Third, what is the usage of Diethyl ethylmalonate CAS NO. 133-13-1 ? pleas see below
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- Used for the intermediates for organic synthesis and pharmaceutical industry.
- Used as intermediates for liquid crystal materials, pharmaceutical intermediates, and pesticide intermediates
Other usages as below
Can be used for the synthsis of the chemical, 1,2,4-triazolidine-3,5-dione, Cas No.:. 3232-84-6
Can be used for the synthsis of the chemical , 1-butyl-3-ethyl-4-oxoquinolin-2-olate,Cas No.: 144603-02-1
Can be used for the synthsis of the chemical, 3-Ethyl-2-hydroxy-4(1H)-quinolinone,Cas No.:. 1873-60-5
Besides Safety Information of Diethyl ethylmalonate CAS NO. 133-13-1 is also important when handling it
|
Hazard Codes |
Xi |
|
WGK Germany |
3 |
|
H．S．Code： |
2917190090 |
|
TSCA |
Yes |
|
HazardClass |
IRRITANT |
What is the appearance of Diethyl ethylmalonate CAS NO. 133-13-1? Please see the picture of Diethyl ethylmalonate CAS NO. 133-13-1, below
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Specification of Diethyl ethylmalonate CAS NO. 133-13-1, is below
Apperance: colorless clear liquid
Assay: 99 % min by GC
IR identity: conform
Water:0.5% max by K.F
.
HNMR picture of Diethyl ethylmalonate CAS NO. 133-13-1 is as follows,
IR picture of Diethyl ethylmalonate CAS NO. 133-13-1 is as follows,
Raman spectra of Diethyl ethylmalonate CAS NO. 133-13-1 is as follows,
Reference of Article cited for your reference below,
（1）
Anticonvulsant activity of deaminated analogues of glutamic acid diethyl ester (GDEE)
PMID 3167573; DOI 10.1016/0006-8993(88)90297-1; Brain research 1988 Aug; 459(1):157-62
Name matches: diethyl pimelate diethyl ethylmalonate
（2）
PMID 15064792; DOI 10.1039/b317084e; Organic & biomolecular chemistry 2004 Apr; 2(8):1160-3
Name matches: diethyl methylmalonate diethyl ethylmalonate
(3)
NCI Yeast Anticancer Drug Screen. Data for the sgs1 mgt1 strain
Activity Outcome:
BioAssay AID: 161
Substance SID: 74324
Compound CID: 8610
