Ethyl 7-chloro-2-oxoheptanoate
- Product Name
- Ethyl 7-chloro-2-oxoheptanoate
- CAS No.
- 78834-75-0
- Chemical Name
- Ethyl 7-chloro-2-oxoheptanoate
- Synonyms
- ECO;7-Chloro-2-oxoheptanoic acid ethyl ester;MGC46090;Cilastatin Intermediate 1;ICK, active, GST tagged human;Ethyl 7-chloro-2-oxohepanoate;Ethyl 7-Chloro-2-Otoheptanoate;ETHYL 7-CHLORO-2-OXOHEPTANOATE;Ethyl 7-chloro-2-oxo-heptanate;Ethyl -7-chloro-2-oxo heptonate
- CBNumber
- CB2118774
- Molecular Formula
- C9H15ClO3
- Formula Weight
- 206.67
- MOL File
- 78834-75-0.mol
Ethyl 7-chloro-2-oxoheptanoate Property
- Boiling point:
- 281.2±23.0 °C(Predicted)
- Density
- 1.093±0.06 g/cm3(Predicted)
- refractive index
- 1.4510 to 1.4560
- storage temp.
- Inert atmosphere,2-8°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Liquid
- color
- Clear Yellow
- InChI
- InChI=1S/C9H15ClO3/c1-2-13-9(12)8(11)6-4-3-5-7-10/h2-7H2,1H3
- InChIKey
- YJJLIIMRHGRCFM-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(=O)CCCCCCl
- CAS DataBase Reference
- 78834-75-0(CAS DataBase Reference)
Safety
- HS Code
- 2918300090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- CDS020993
- Product name
- Ethyl 7-chloro-2-oxoheptanoate
- Packaging
- 100 mg
- Price
- $36.7
- Updated
- 2025/07/31
- Product number
- SRP5039
- Product name
- ICK, active, GST tagged human
- Purity
- PRECISIO? Kinase, recombinant, expressed in baculovirus infected Sf9 cells, ≥70% (SDS-PAGE), buffered aqueous glycerol solution
- Packaging
- 10μG
- Price
- $502
- Updated
- 2023/06/20
- Product number
- E0827
- Product name
- Ethyl 7-Chloro-2-oxoheptanoate
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $58
- Updated
- 2025/07/31
- Product number
- E0827
- Product name
- Ethyl 7-Chloro-2-oxoheptanoate
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $174
- Updated
- 2025/07/31
- Product number
- E901785
- Product name
- Ethyl 7-Chloro-2-oxoheptanoate
- Packaging
- 1g
- Price
- $60
- Updated
- 2021/12/16
Ethyl 7-chloro-2-oxoheptanoate Chemical Properties,Usage,Production
Chemical Properties
Colorless to Light orange to Yellow clear liquid.
Uses
Ethyl 7-Chloro-2-oxoheptanoate is a reagent used in the synthesis of selective BCL-XL inhibitor A1155463 used in the treatment of cancer.
Uses
Ethyl 7-chloro-2-oxoheptanoate is a product of the Grignard reaction that can be used to synthesize organic compounds. It has been used in the preparation of pharmaceuticals such as cilastatin, which is used to inhibit cytochrome P450 enzymes in order to prolong the effectiveness of other drugs. This reagent also reacts with hydrochloric acid to form ethyl chloride and heptanoic acid, which can be used for chlorination reactions.
Preparation
Ethyl 7-chloro-2-oxoheptanoate is an organochlorine compound that is obtained by reacting ethyl chloride with magnesium in the presence of benzene and cilastatin as a catalyst.
Synthesis
54512-75-3
95-92-1
78834-75-0
The general procedure for the synthesis of ethyl 7-chloro-2-oxoheptanoate from 1-bromo-5-chloropentane and diethyl oxalate is as follows (Example 1): 1. Reaction apparatus preparation: the reaction apparatus 10 shown in Figure 1 was used, wherein the main flow channel 12 was a circular tube made of stainless steel, and the introduction points 12o and 12p were 180-degree T-shaped mixture flow channels. 2. Grignard reagent preparation: 1-bromo-magnesium-5-chloropentane Grignard reagent (0.45 mol/L) was prepared by adding magnesium powder to 1-bromo-5-chloropentane and diluted with tetrahydrofuran solvent, and the resulting diluted solution was used as feedstock M2. 3. Raw material preparation: Undiluted diethyl oxalate (7.4 mol/L) was used as raw material M1. 4. Reactant delivery: Feedstock M2 and feedstock M1 were delivered to a flow-type microfine reaction flow path 32 via smooth flow pumps 20 and 26 manufactured by TACMINA CORPORATION at flow rates of 110 mL/min and 5.1 mL/min, respectively. 5. Control of reaction conditions: Feedstock M2 (Grignard reagent) and feedstock M1 (diethyl oxalate) were controlled at 10 °C and room temperature, respectively, and the thermostatic liquid tank 28 was charged with methanol as refrigerant 30 and controlled at -15 °C. 6. Reaction process: Under the above conditions, the residence time of the reactants in the flow-type fine reaction flow channel 32 was about 14 seconds. 7. Product treatment: The liquid from the reaction was collected and the reaction was quenched with dilute hydrochloric acid to give the target product ethyl-7-chloro-2-pentyl oxalate in 90% yield.
References
[1] Patent: EP2065354, 2009, A1. Location in patent: Page/Page column 11-12
[2] Patent: WO2006/22511, 2006, A1. Location in patent: Page/Page column 10-11
Ethyl 7-chloro-2-oxoheptanoate Preparation Products And Raw materials
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View Lastest Price from Ethyl 7-chloro-2-oxoheptanoate manufacturers
- Product
- Ethyl 7-chloro-2-oxoheptanoate 78834-75-0
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100 mt
- Release date
- 2024-11-07
- Product
- Ethyl-7-Chloro-2-Oxo-Heptanoate 78834-75-0
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98.00%
- Supply Ability
- 20tons
- Release date
- 2023-09-13
- Product
- Ethyl 7-chloro-2-oxoheptanoate Synonyms 78834-75-0
- Price
- US $30.00-28.00/Kg
- Min. Order
- 1Kg
- Purity
- 99.0% up
- Supply Ability
- 50 tons per month
- Release date
- 2023-05-31