128013-65-0 Usage
Description
5-Methyl-3-nitromethyl-hexanoic Acid, Ethyl Ester is an organic compound that serves as a valuable synthetic intermediate in the pharmaceutical industry. It is a colorless liquid with unique chemical properties that make it suitable for various applications.
Uses
Used in Pharmaceutical Industry:
5-Methyl-3-nitromethyl-hexanoic Acid, Ethyl Ester is used as a synthetic intermediate for the production of Pregabalin, a widely prescribed medication for various conditions such as epilepsy, neuropathic pain, and generalized anxiety disorder. Its role in the synthesis process is crucial for the development of this effective therapeutic agent.
Used in Chemical Synthesis:
As a synthetic intermediate, 5-Methyl-3-nitromethyl-hexanoic Acid, Ethyl Ester is also used in the development of other chemical compounds and materials. Its unique structure and properties make it a versatile building block for creating new molecules with potential applications in various industries.
Chemical Properties:
5-Methyl-3-nitromethyl-hexanoic Acid, Ethyl Ester is a colorless liquid, which indicates its stability and suitability for use in various chemical reactions and processes. Its physical state and properties contribute to its utility as a synthetic intermediate in the pharmaceutical and chemical industries.
Check Digit Verification of cas no
The CAS Registry Mumber 128013-65-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,0,1 and 3 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 128013-65:
(8*1)+(7*2)+(6*8)+(5*0)+(4*1)+(3*3)+(2*6)+(1*5)=100
100 % 10 = 0
So 128013-65-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H19NO4/c1-4-15-10(12)6-9(5-8(2)3)7-11(13)14/h8-9H,4-7H2,1-3H3
128013-65-0Relevant articles and documents
A convenient synthesis of 3-alkyl-4-aminobutanoic acids
Andruszkiewicz,Silverman
, p. 953 - 955 (1989)
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Preparation method of pregabalin intermediate ethyl 3-nitromethyl-5-methylhexanoate
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Paragraph 0035; 0038; 0040; 0042; 0044-0046; 0048; 0050, (2019/01/08)
The invention discloses a preparation method of a pregabalin intermediate ethyl 3-nitromethyl-5-methylhexanoate. The method comprises the steps: reacting raw materials, namely ethyl 5-methyl-2-hexenoate as shown in a formula I and nitromethane in an appropriate organic solvent A at 20-150 DEG C under the action of a supported organic catalyst by taking nitromethane as a nucleophilic reagent to prepare ethyl 3-nitromethyl-5-methylhexanoate as shown in a formula II, wherein the organic solvent A is one selected from the followings: acetonitrile, methanol, ethyl acetate, dichloromethane, ethanol,toluene and 1,4-dioxane. Ethyl 3-nitromethyl-5-methylhexanoate is prepared by using the supported organic catalyst low in cost, easy to prepare and environment-friendly and is high in reaction yieldand product purity.
PROCESS FOR PREPARING PREGABALIN
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Page/Page column 7; 13, (2011/02/24)
The invention relates to a process for preparing a compound of formula (I): wherein said process comprises hydrogenation of a compound of formula (II): under alkaline conditions, wherein R represents hydrogen or a labile group capable of being converted to hydrogen. The invention also relates to intermediates used in said process, to the use of said intermediates in the preparation of pregabalin and to a process for resolving racemic compounds of formula (I).