(3-Chloropropyl)malonic acid diethyl ester

What is (3-Chloropropyl)malonic acid diethyl ester, cas no. 18719-43-2,a producer telling you the result.

CAS NO. 18719-43-2

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To begin with, let us tell you what is the basic information of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2?

Flash Point

>230 °F

Molecular Weight

236.69300

Density

1.101 g/mL at 25 °C(lit.)

Boiling Point

136 °C5 mm Hg(lit.)

Molecular Formula

C10H17ClO4

LogP

1.74780

 

Like many stuff, it has many synonyms as follows

MFCD00009169

2-(3-chloropropyl)malonic acid diethyl ester

Malonic acid,3-chloropropyl-,diethyl ester

diethyl chloropropylmalonate

diethyl 2-(3-chloropropyl)malonate

(3-Chlor-propyl)-malonsaeure-diaethylester

Diethyl (3-chloropropyl)malonate

 

(3-chloro-propyl)-malonic acid diethyl ester

First, the chemical is very special, some technical indexes as below

Ecological data

 

It is usually not harmful to water, and materials should not be discharged into the surrounding environment without government permission.

 

Molecular structure data

 

1. Molar refractive index: 56.73

2. Molar volume (m3/mol): 212.3

3. Isometric volume (90.2K): 515.2

4. Surface tension (dyne/cm): 34.6

5. Polarization rate (10-24cm3): 122.49

Computational Chemistry Data

 

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 4

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: None

6. Topological molecule polarity surface area 52.6

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 188

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: 1

 

Properties and Stability

Stable at room temperature and pressure

 

Avoided materials: oxides

 

Storage method

Room temperature, sealed, dark, ventilated and dry

 

Second, the Synthetic Route we will recommend is the most important for your reference?

First, synthesis line of  (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2  as follows

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Third, what is the usage of  (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2   pleas see below

 

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Used for the intermediates for organic synthesis and pharmaceutical industry.

 

Other usages as below

 

Can be used for the synthsis of the chemical, 2-(2-chloroacetyl)-N-methyloxazinane-3-carboxamide, Cas No.:. 70236-03-2

 

Can be used for the synthsis of the chemical , diethyl 2-(3-chloropropyl)-2-ethylpropanedioate Cas No.: 32821-60-6

Can be used for the synthsis of the chemical, 2-(2-chloroacetyl)-N-methyl-5,6-dihydrooxazine-3-carboxamide  Cas No.:. 70236-00-9

 

 

Besides Safety Information of  (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2  is also important when handling it

 

Hazard Codes 

Xi

WGK Germany 

3

HSCode

2917190090

TSCA 

Yes

HazardClass 

IRRITANT

 

 

What is the appearance of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2?   Please see the picture of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2, below

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Specification of (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2, is below

Apperance: colorless to light yellow clear liquid

Assay: 98 % min by GC

IR identity: conform

Water:0.5% max by K.F.

HNMR  picture of  (3-Chloropropyl)malonic acid diethyl esterCAS NO. 18719-43-2  is as follows,

Reference of  Article cited for your reference below,

(1)

Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis

Publication Number: US-10364208-B2

Priority Date: 2017-01-05

Grant Date: 2019-07-30

(2)

Far superior oxidation catalysts based on macrocyclic compounds

Publication Number: US-2018304247-A1

Priority Date: 2015-09-25

(3)

UN Globally Harmonized System of Classification and Labelling of Chemicals (GHS)

GHS Classification Tree

http://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html