ethyl-2,2-dimethyl-7-bromoheptanoate

 化学構造式
123469-92-1
CAS番号.
123469-92-1
化学名:
别名:
英語名:
ethyl-2,2-dimethyl-7-bromoheptanoate
英語别名:
ethyl 7-bromo-2,2-dimethylheptanoate;ETC-1002 intermediate 2;Bempedoic Acid Impurity 9;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;2,14-dimethyl-8-oxopentadecane-2,7,9,14-tetracarboxylic acid
CBNumber:
CB23105876
化学式:
C11H21BrO2
分子量:
265.19
MOL File:
123469-92-1.mol

ethyl-2,2-dimethyl-7-bromoheptanoate 物理性質

沸点 :
106-108 °C(Press: 0.01 Torr)
比重(密度) :
1.169±0.06 g/cm3(Predicted)
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
安全性情報
  • リスクと安全性に関する声明
  • 危険有害性情報のコード(GHS)
HSコード  2915907098
絵表示(GHS) GHS hazard pictograms
注意喚起語 警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード
H315 皮膚刺激 皮膚腐食性/刺激性 2 警告 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 強い眼刺激 眼に対する重篤な損傷性/眼刺激 性 2A 警告 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
注意書き
P280 保護手袋/保護衣/保護眼鏡/保護面を着用するこ と。
P302+P352 皮膚に付着した場合:多量の水と石鹸で洗うこと。
P305+P351+P338 眼に入った場合:水で数分間注意深く洗うこと。次にコ ンタクトレンズを着用していて容易に外せる場合は外す こと。その後も洗浄を続けること。
P332+P313 皮膚刺激が生じた場合:医師の診断/手当てを受けるこ と。
P337+P313 眼の刺激が続く場合:医師の診断/手当てを受けること。

ethyl-2,2-dimethyl-7-bromoheptanoate 価格

メーカー 製品番号 製品説明 CAS番号 包装 価格 更新時間 購入

ethyl-2,2-dimethyl-7-bromoheptanoate 化学特性,用途語,生産方法

説明

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).

使用

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.

合成

説明図
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 上流と下流の製品情報

原材料

準備製品


ethyl-2,2-dimethyl-7-bromoheptanoate 生産企業

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123469-92-1()キーワード:


  • 123469-92-1
  • ethyl-2,2-dimethyl-7-bromoheptanoate
  • 7-Bromo-2,2-dimethylheptanoic acid ethyl ester
  • ETC-1002 intermediate 2
  • 7-bromo-2,2-dimethylheptanoate
  • 2,14-dimethyl-8-oxopentadecane-2,7,9,14-tetracarboxylic acid
  • Heptanoic acid, 7-bromo-2,2-dimethyl-, ethyl ester
  • Bempedoic Acid Impurity 9
  • Bempedoic acid intermediate
  • ethyl 7-bromo-2,2-dimethylheptanoate
  • Bempedoic Acid Intermediates
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