ethyl-2,2-dimethyl-7-bromoheptanoate
- Product Name
- ethyl-2,2-dimethyl-7-bromoheptanoate
- CAS No.
- 123469-92-1
- Chemical Name
- ethyl-2,2-dimethyl-7-bromoheptanoate
- Synonyms
- ethyl 7-bromo-2,2-dimethylheptanoate;ETC-1002 intermediate 2;Bempedoic Acid Impurity 9;Bepidoic acid impurity 11;Bempedoic acid intermediate;Bempedoic Acid Intermediates;7-bromo-2,2-dimethylheptanoate;ethyl-2,2-dimethyl-7-bromoheptanoate;7-Bromo-2,2-dimethylheptanoic acid ethyl ester;Heptanoic acid, 7-bromo-2,2-dimethyl-, ethyl ester
- CBNumber
- CB23105876
- Molecular Formula
- C11H21BrO2
- Formula Weight
- 265.19
- MOL File
- 123469-92-1.mol
ethyl-2,2-dimethyl-7-bromoheptanoate Property
- Boiling point:
- 106-108 °C(Press: 0.01 Torr)
- Density
- 1.169±0.06 g/cm3(Predicted)
- vapor pressure
- 0.0±0.6 mmHg at 25°C
- refractive index
- 1.463
- Flash point:
- 146.4±13.0 °C
- InChI
- InChI=1S/C11H21BrO2/c1-4-14-10(13)11(2,3)8-6-5-7-9-12/h4-9H2,1-3H3
- InChIKey
- SYRIIFZUZOIRNU-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(C)(C)CCCCCBr
- LogP
- 3.92
Safety
- HS Code
- 2915907098
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- CS-M3640
- Product name
- 7-Bromo-2,2-dimethylheptanoicacidethylester
- Packaging
- 1g
- Price
- $68
- Updated
- 2021/12/16
- Product number
- CS-M3640
- Product name
- 7-Bromo-2,2-dimethylheptanoicacidethylester
- Packaging
- 5g
- Price
- $205
- Updated
- 2021/12/16
- Product number
- A606282
- Product name
- Ethyl7-bromo-2,2-dimethylheptanoate
- Purity
- 97%
- Packaging
- 1g
- Price
- $6
- Updated
- 2021/12/16
- Product number
- A606282
- Product name
- Ethyl7-bromo-2,2-dimethylheptanoate
- Purity
- 97%
- Packaging
- 5g
- Price
- $22
- Updated
- 2021/12/16
- Product number
- A606282
- Product name
- Ethyl7-bromo-2,2-dimethylheptanoate
- Purity
- 97%
- Packaging
- 25g
- Price
- $63
- Updated
- 2021/12/16
ethyl-2,2-dimethyl-7-bromoheptanoate Chemical Properties,Usage,Production
Description
Ethyl 7-bromo-2,2-dimethylheptanoate is an important raw material in the synthesis route of bepetidic acid. Bempedoic acid, whose chemical name is 8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid, also known as ETC-1002, is a new type of lipid developed by the American EsperionTherapeutic company Quality regulation small molecule drugs. As one of the company's main drug candidates, its targets are liver adenosine triphosphate-citrate lyase (ACL) and adenosine monophosphate-activated protein kinase (AMPK).
Uses
Ethyl-2,2-dimethyl-7-bromoheptanoate can be used as an intermediate in organic synthesis, mainly used in laboratory research and development and chemical production processes.
Synthesis
The specific embodiment of the present invention is as follows: prepare 19.4g (167mmol) of ethyl isobutyrate in 216mL solution of tetrahydrofuran with a mass concentration of 10%, connect to metering pump 1; prepare 84mL (168mmol) of 2.0M n-butyllithium solution, connect to meter Pump 2; configure 1,5-dibromopentane 80.0g (348mmol) tetrahydrofuran 100mL solution, mass concentration is 63%, connected to metering pump 3.Configure 300mL of 1N hydrochloric acid solution and connect to metering pump 4.Set continuous flow precooler 1, the circulating temperature is 0, and reach stability; set continuous flow precooler 2, the circulating temperature is 0, and reach stability; set continuous flow precooler 3, and the circulating temperature is 0, and reach stability; set continuous flow precooler 4, cycle temperature is 0, and reach stability;Set the flow rate of metering pump 1 to 65.0ml/min, set the flow rate of metering pump 2 to 25.0ml/min, set the flow rate of metering pump 3 to 30.0ml/min, and set the flow rate of metering pump 4 to 90.0ml/min.Turn on the metering pump 1 and metering pump 2 at the same time. After 60s of operation, turn on the metering pump 3, and after 60s of operation, turn on the metering pump 4 to collect the outflowing reaction liquid in the storage tank.After the operation is completed, separate the liquids, collect the upper organic phase, concentrate under reduced pressure at P=-0.08MPa, T=45??C to remove low-boiling solvents, and then rectify under reduced pressure at P=5mmHg and T=70??C to obtain 38.4 g.The obtained product is a colorless liquid with a GC purity of 98.6% and a yield of 87%.
ethyl-2,2-dimethyl-7-bromoheptanoate Preparation Products And Raw materials
Raw materials
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View Lastest Price from ethyl-2,2-dimethyl-7-bromoheptanoate manufacturers
- Product
- Ethyl-2,2-dimethyl-7-bromoheptanoate 123469-92-1
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 97.0-99.0%min GC
- Supply Ability
- 5-10tons/year
- Release date
- 2022-01-07
- Product
- ethyl-2,2-dimethyl-7-bromoheptanoate 123469-92-1
- Price
- US $8.00-2.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-04-24
- Product
- ethyl-2,2-dimethyl-7-bromoheptanoate 123469-92-1
- Price
- US $0.01/KG
- Min. Order
- 1KG
- Purity
- 95%-99%
- Supply Ability
- 1kg; 100kg； 500kg
- Release date
- 2019-12-24