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123469-92-1

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123469-92-1 Usage

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%.

Check Digit Verification of cas no

The CAS Registry Mumber 123469-92-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,3,4,6 and 9 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 123469-92:
(8*1)+(7*2)+(6*3)+(5*4)+(4*6)+(3*9)+(2*9)+(1*2)=131
131 % 10 = 1
So 123469-92-1 is a valid CAS Registry Number.

123469-92-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl-2,2-dimethyl-7-bromoheptanoate

1.2 Other means of identification

Product number -
Other names ethyl-7-bromo-2,2-dimethylheptanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:123469-92-1 SDS

123469-92-1Relevant articles and documents

Synthetic method of bepidic acid

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Paragraph 0033-0034; 0040-0041; 0047-0048, (2021/03/13)

The invention belongs to the field of medicine synthesis, and relates to a novel synthesis method of a compound bepidic acid. The preparation method comprises the following steps: (1) carrying out primary alkylation on ethyl isobutyrate and 1, 5-dibromopentane under the action of lithium diisopropylamide to generate a compound 1; (2) carrying out alkylation twice on dibenzyl malonate and the compound 1 under the action of sodium hydride to generate a compound 2; (3) removing benzyl from the compound 2 under the action of Pd/C and hydrogen to obtain a compound 3; (4) carrying out electrochemical reaction on the compound 3 in a methanol solution of methanol and ammonia to obtain a compound 4; (5) finally carrying out sodium borohydride hydrolysis and potassium hydroxide hydrolysis on the compound 4, and acidifying to obtain the final bepidic acid. The method is carried out under electrochemical conditions, is mild in conditions and high in efficiency, and is suitable for industrial production.

Synthesis method of 8-hydroxy-2, 2, 14, 14-tetramethyl pentadecanedioic acid

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Paragraph 0047-0050, (2021/09/11)

The invention provides a synthesis method for preparing 8-hydroxy-2, 2, 14, 14-tetramethyl pentadecanedioic acid, which comprises the step of carrying out addition reaction on a compound III and a compound IV to obtain a compound II. The method has the advantages of cheap and easily available raw materials and short steps, and can greatly reduce the production cost; the operation is simple, and industrial production is facilitated; and the quality of reaction products in each step is controllable, and the obtained product is high in purity and small in single impurity.

Method for synthesizing ethyl-2,2-dimethyl-7-bromoheptanoate

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Paragraph 0030; 0033-0075, (2020/09/30)

The invention discloses a method for synthesizing ethyl-2,2-dimethyl-7-bromoheptanoate. The method comprises the following steps: introducing ethyl isobutyrate and an organic alkali reagent into a continuous flow reactor through a metering pump; preparing an ethyl isobutyrate lithium salt solution through pre-cooling, mixing and reacting; continuously reacting the solution with 1,5-dibromopentanein a continuous flow reactor, completing quenching operation through a quenching post-treatment module, and finally performing post-treatment to obtain a substituted product, namely ethyl-2,2-dimethyl-7-bromoheptanoate. The method has the advantages that conditions are accurately controlled, selectivity is good, the amplified production of the product becomes possible, operation is simple, convenient and safe, yield is high, a reaction rate is high, etc.; and huge practical values are obtained in the aspects of improving production safety, improving the yield and output of ethyl-2,2-dimethyl-7-bromoheptanoate and improving production efficiency.

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