15667-63-7

Basic information

• Product Name: ACETIC ACID 1-CYANO-2-PROPENYL ESTER
• Synonyms: Acrolein cyanohydrin acetate;2-Acetoxy-3-butenenitrile;Acetic acid 1-cyanoallyl ester;Einecs 239-743-2;Acetic Acid 1-Cyano-2-propenyl Ester DL-2-Acetoxy-3-butenenitrile 1-Cyanoallyl Acetate;ACETIC ACID 1-CYANO-2-PROPENYL ESTER;1-CYANO-2-PROPENYL ACETATE;1-CYANOALLYL ACETATE
• CAS NO: 15667-63-7
• Molecular Formula: C₆H₇NO₂
• Molecular Weight: 125.13
• EINECS: 239-743-2
• Mol File: 15667-63-7.mol

Chemical Properties

• Boiling Point: 74 °C / 16mmHg
• Flash Point: 72 °C
• Appearance: /
• Density: 1.03
• Vapor Pressure: 0.883mmHg at 25°C
• Refractive Index: 1.4230-1.4250
• Storage Temp.: 2-8°C
• Water Solubility: 15.8g/L at 20℃
• CAS DataBase Reference: ACETIC ACID 1-CYANO-2-PROPENYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: ACETIC ACID 1-CYANO-2-PROPENYL ESTER(15667-63-7)
• EPA Substance Registry System: ACETIC ACID 1-CYANO-2-PROPENYL ESTER(15667-63-7)

Safety Data

• Hazard Codes: T
• Statements: 23/24
• Safety Statements: 36/37/39-45
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 15667-63-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
ACETIC ACID 1-CYANO-2-PROPENYL ESTER is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, ACETIC ACID 1-CYANO-2-PROPENYL ESTER is utilized as an intermediate in the production of herbicides and insecticides. Its reactivity and functional groups make it suitable for the creation of effective and targeted pest control agents.
Used as a Solvent:
ACETIC ACID 1-CYANO-2-PROPENYL ESTER is employed as a solvent in various chemical processes. Its ability to dissolve a wide range of substances makes it a valuable asset in the chemical industry, facilitating reactions and improving the efficiency of production processes.
Used in Organic Synthesis:
As a chemical intermediate in organic synthesis, ACETIC ACID 1-CYANO-2-PROPENYL ESTER plays a crucial role in the formation of complex organic molecules. Its versatility in reacting with other compounds allows for the creation of a diverse array of products across different industries.

InChI:InChI=1/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3

Upstream product

• 5809-59-6 3-cyano-3-hydroxy-1-propene 
• 108-24-7 acetic anhydride 
• 109-75-1 but-3-enenitrile 
• 143-33-9 sodium cyanide 
• 107-02-8 acrolein 
• 74-90-8 hydrogen cyanide 
• 773837-37-9 sodium cyanide 

Downstream Products

• 138128-01-5 2-acetyloxy-4-(methylthio)butanoic acid 
• 5809-59-6 3-cyano-3-hydroxy-1-propene 
• 172529-93-0 3-[n-butoxy(methyl)phosphoryl]-1-cyanopropyl acetate 
• 13269-47-1 4-amino-3-hydroxybut-1-ene 
• 76734-38-8 (3-Acetoxy-3-cyano-propyl)-methyl-phosphinic acid isobutyl ester 

Relevant articles and documents

Preparation method and device of 1-cyano-2-propenyl acetate

The invention provides a preparation method of 1-cyano-2-allyl acetate. The preparation method comprises an esterification reaction and distillation. Acrolein cyanohydrin and liquid acetic anhydride are subjected to the esterification reaction in the presence of a catalyst and inorganic acid to prepare a reaction solution containing ACA, an ACA product is obtained after distillation, and the esterification reaction further comprises the step of introducing gaseous acetic anhydride into a reaction system. The invention further provides a preparation device of 1-cyano-2-allyl acetate. Accordingto the method and the device, acetic anhydride is ingeniously divided into two parts to be fed, one part is separated out to serve as acetic anhydride steam which is fed into an esterification reaction tower from the bottom of the tower, heat required by reaction can be provided, acetic acid can be effectively blown off, the esterification reaction can be accelerated through effective removal of acetic acid, and the reaction efficiency is improved. The device is characterized in that a conductivity meter is arranged in the esterification reaction tower to monitor the reaction process on line,so that the timeliness and effectiveness of reaction process control are guaranteed.

Preparation method of 1-cyano-2-propenyl acetate

The invention relates to a preparation method of 1-cyano-2-allyl acetate. The method comprises the following steps: (1) reacting hydrocyanic acid with acrolein in the presence of a first catalyst to obtain a reaction solution containing acrolein cyanohydrin; and (2) reacting the obtained reaction solution containing acrolein cyanohydrin with an esterifying agent in the presence of a second catalyst to obtain a reaction solution containing 1-cyano-2-propenyl acetate. The first catalyst and the second catalyst are the same or different and are respectively and independently N,N-dimethylaminopyridine carboxylate. According to the preparation method provided by the invention, the efficient catalyst N,N-dimethylaminopyridine carboxylate is used as a catalyst shared by two steps of reactions, and the two steps of main reactions can be efficiently catalyzed, so that the two steps of main reactions can be carried out according to an approximate stoichiometric ratio; the yield of the product 1-cyano-2-propenyl acetate can reach 99% or above, and the purity can reach 99.5% or above; and the investment is saved, and the product competitiveness is improved.

Method for synthesizing 2-acetoxyl-3-crotononitrile

The invention discloses a method for synthesizing 2-acetoxyl-3-crotononitrile. The method comprises the following steps: taking acrolein, hydrocyanic acid and acetic anhydride as raw materials, dropping mixed solution of the acrolein and the acetic anhydride into alcoholic solution of the hydrocyanic acid, performing a reaction on the mixture, so as to obtain the 2-acetoxyl-3-crotononitrile. In the method, the hydrocyanic acid replaces sodium cyanide which is used for performing a reaction with water, so that the problem that cyanide-containing waste water caused by the use of the water in thesynthesis process is avoided, and the 2-acetoxyl-3-crotononitrile is efficiently synthesized. In the method, alcohol is taken as a reaction system, acetic acid is generated in the reaction process, and all solvents can be recycled, therefore, the method has the advantages of being environmentally friendly and lowering the cost.

PROTEASOME INHIBITING ?-LACTAM PRODRUGS USEFUL FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS

The present invention relates generally to proteasome inhibiting β-lactam compounds useful for the treatment of cancer and neurodegenerative disorders. The invention also provides pharmaceutical compositions and extended release formulations of said compounds, and medical uses of said compounds and/or pharmaceutical compositions to treat cancer and neurodegenerative disorders.

Process for the preparation of 2-hydroxy-4-(methylthio) butanoic acid or methionine by mercaptan addition

A process for the free-radical addition of a mercaptan to a nonconjugated olefinic substrate having a terminal carbon-carbon double bond is disclosed. 2-Hydroxy-4-(ethylthio)butanoic acid (HMBA) or methionine can be prepared using this method. The nonconjugated olefinic substrate has the general formula: STR1 wherein R is selected from the group consisting of --COOH, --COOR2, --CONR3 R4, --CN and --CCl3, R1 is selected from the group consisting of --OH, --OCOR2, --NHCOR2 and --NH2, R2 is selected from the group consisting of alkyl, cycloalkyl and aryl and R3 and R4 are independently selected from the group consisting of --H and R2.

Synthesis of 2-Hydroxy-3-methyl-2-hexen-4-olid

The title compound 13a, a substance used in food-flavoring, was synthesized in 89percent overall yield, starting from methyl 2-hydroxy-3-butenoate (3a).The key step in this transformation is the isomerization of the C=C bond in 3a which yielded methyl 2-oxobutanoate as an intermediate.The latter underwent a self-condensation yielding 2-hydroxy-4-(methoxycarbonyl)-3-methyl-2-hexen-4-olid (11a), which, after hyrolysis and decarboxylation, gave 13a.In addition the syntheses of five other compounds related to 13a are reported.