Ethyl 7-chloro-2-oxoheptanoate

What is Ethyl 7-chloro-2-oxoheptanoate , cas no. 78834-75-0,a producer telling you the result.

CAS NO. 78834-75-0

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To begin with, let us tell you what is the basic information of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0 ?

Molecular Weight	206.66700	Molecular Formula	C9H15ClO3
Density	1.093 g/cm3	Boiling Point	281.2ºC at 760 mmHg
LogP	1.91780	CAS Number	78834-75-0
MDL No.	MFCD07698675	Flash Point	111.3ºC

Like many stuff, it has many synonyms as follows

EINECS 278-992-1

ethyl 7-chloro-2-oxoheptanoate

The chemical is very special

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Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 3

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: 2

6. Topological molecule polarity surface area: 43.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 168

10. Number of Isotope Atoms: 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. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

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

First, synthesis line of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0 ,as follows

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Ethyl 7-chloro-2-oxoheptoate was synthesized from 1-bromo-5-chloropentane and diethyl acetate in a yield of approximately 88%;

Synthesis line in lab as below

Step 1: Under dry N2 protection, burn in a four port furnace equipped with a condensing tube, thermometer, stirrer, and 50ml constant pressure drip funnel .Add a mixture of 7.3g of diethyl oxalate, 9.3g of 1-bromo-5-chloropentane, and 30ml of tetrahydrofuran to the bottle;

Step 2: Quickly add 1.0g PSIM MgBr under the condition of -25 ℃, and maintain the reaction temperature controlled at around -10 ℃ during the drop addition reaction. After the drop addition is completed, continue the reaction for 1 hour;

Step 3: Hydrolyze with 15ml of 4M hydrochloric acid, and ensure that the reaction temperature is below 0 ℃ during the acid hydrolysis process;Separate the organic layer, extract the water layer with dichloromethane, wash with saturated sodium chloride solution, and add NaHS03 saturated solution for oscillation;

Step 4: After shaking, the organic layer and water layer are neutralized with a saturated NaHC03 solution. The organic layer is rotated and evaporated to produce tetrahydrofuran. The organic layer is merged and neutralized with saturated NaHC03, washed with NaHS03, and then washed with NaCl until neutral. The solvent is evaporated and reduced pressure distillation is carried out to obtain 7-chloro-2-oxoheptate ethyl ester.

Second,synthesis line of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0 ,as follows

Synthesis of 7-chloro-2-oxoheptoate ethyl ester using diethyl acetate in a yield of approximately 74%;

Other synthesis lines of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0 as follows？

Third, what is the usage of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0? pleas see below

Main Usage:

Ethyl 7-chloro-2-oxoheptoate is an important starting material for the synthesis of Cilastatin. Silastatin is a kidney dehydrogenase inhibitor developed by an American company. It can inhibit the renal metabolism of the broad-spectrum antibacterial drug imipenem, which is currently used in clinical practice. While reducing renal toxicity, it can also increase the blood antibacterial concentration of imipenem, with significant therapeutic effects. Therefore, in the past decade, domestic and foreign chemists have conducted extensive research on how to improve the purity and yield of synthesized silastatin. Due to the fact that ethyl 7-chloro-2-oxoheptoate is an important starting material for the synthesis of cilastatin, and the purity of the raw material is an important factor affecting the product cilastatin, obtaining high-purity and high-yield ethyl 7-chloro-2-oxoheptoate has become the key to improving the purity of cilastatin and reducing the production cost of the drug.

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Other usages as below

One kind of raw material for producing cilastatin cas no 82009-34-5,which is as follows

Besides Safety Information of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0 is also important when handling it

Hazard Codes	Xi
H.S. Code	2918300090

What is the appearance of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0 ? Please see the picture of Ethyl 7-chloro-2-oxoheptanoate Cas No. 78834-75-0 below