773076-83-8

Basic information

• Product Name: ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE
• Synonyms: RARECHEM AL BS 0501;ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE;ETHYL 2-CYANONOAT-4,4-DIMETHOXYBUTAE
• CAS NO: 773076-83-8
• Molecular Formula: C₉H₁₅NO₄
• Molecular Weight: 201.22
• Mol File: 773076-83-8.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE(773076-83-8)
• EPA Substance Registry System: ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE(773076-83-8)

Safety Data

• Hazardous Substances Data: 773076-83-8(Hazardous Substances Data)

Usage

General Description

ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE is a chemical compound with the molecular formula C10H15NO4. It is a colorless to pale yellow liquid with a sweet, fruity odor. ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE is used in organic synthesis and as a reagent in the production of pharmaceuticals, agrochemicals, and fine chemicals. It is also used as a flavoring agent and fragrance ingredient. ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE is a versatile compound with diverse applications in various industries. However, it is important to handle and store this chemical with care, as it can be hazardous if not properly managed.

Upstream product

• 7252-83-7 1-bromo-2,2-dimethoxyethane 
• 105-56-6 ethyl 2-cyanoacetate 

Downstream Products

• 3680-69-1 4-chloro-1H-pyrrolo[2,3-d]pyrimidine 
• 479633-63-1 4-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine 
• 3680-71-5 Allopurinol 
• 1445579-51-0 ethyl 2-(4-chlorophenyl)-2-cyano-4, 4-dimethoxybutanoate 

Relevant articles and documents

Production process 4 -chloropyrrolo [2, 3 - d] pyrimidine

The production process of 4 - chloropyrrolo [2, 3 - d] pyrimidine comprises the following steps: S1, adding the compound I and the compound II to the mixed solvent I, carrying out temperature rise reaction under the catalysis of the base I to obtain the compound III. S2, sodium alkoxide I was added to alcoholic solvent II, compound IV and compound III were added to raise the temperature, and organic solvent III, organic solvent IV and compound V were added to raise the temperature to give 4 - chloropyrrolo [2, 3 - d] pyrimidine crude product. Among them, compound I is. . Compound II was obtained. . Compound III was obtained. . The compound IV is formamidine. Compound V was POCl. 3 To the method, bromoacetaldehyde dimethyl acetal and cyanoethyl acetate are subjected to reflux reaction, and 2 - cyano -4, 4 - methoxybutyric acid ethyl ester and formamidine acetate are subjected to one-pot chlorofluorination reaction, so that the reaction period is greatly shortened.

Pyrrole pyrimidine derivative intermediate preparation method

The present invention relates to the field of pharmaceutical chemistry, particularly to a preparation method of a pyrrole pyrimidine derivative intermediate having a focal adhesion kinase inhibition effect. According to the present invention, the reaction types of the preparation method of the present invention and the preparation method in the prior art are the same, the preparation method of the present invention and the preparation method in the prior art respectively comprise an alkylation reaction, a cyclization reaction and a further reaction under acid catalysis, but the final product yields of the preparation method of the present invention and the preparation method in the prior art have the significant difference, wherein the reason comprise the bromoacetaldehyde dialkyl acetal adding time during the alkylation reaction, and the experiment results show that the effect of the use of the bromoacetaldehyde dimethyl acetal is better than the effect of the use of the bromoacetaldehyde diethyl acetal and mainly the effect is showed by the increased yield; and the pyrrole pyrimidine derivative intermediate preparation route can be represented by the following reaction formula, wherein the compound represented by a formula II can participate in the reaction in a salt form, preferably in an acetate form, R1 and R1' are the same or different C1-C8 alkyl groups, preferably the same methyl, R2 is an amino group or hydrogen, and R3 is -S or -NH.