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(3-cyanooxetan-3-yl)acetic acid ethyl ester, with the chemical formula C8H9NO3, is an ester of (3-cyanooxetan-3-yl)acetic acid, a cyclic oxetane derivative. This versatile chemical compound is characterized by its unique structure, which makes it an interesting target for studies in organic and medicinal chemistry. It may exhibit unique reactivity and biological properties, contributing to its potential applications in various fields of science and industry.

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  • 1050611-00-1 Structure
  • Basic information

    1. Product Name: (3-cyanooxetan-3-yl)acetic acid ethyl ester
    2. Synonyms: (3-cyanooxetan-3-yl)acetic acid ethyl ester;Ethyl 2-(3-cyanooxetan-3-yl)acetate
    3. CAS NO:1050611-00-1
    4. Molecular Formula: C8H11NO3
    5. Molecular Weight: 169
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1050611-00-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (3-cyanooxetan-3-yl)acetic acid ethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3-cyanooxetan-3-yl)acetic acid ethyl ester(1050611-00-1)
    11. EPA Substance Registry System: (3-cyanooxetan-3-yl)acetic acid ethyl ester(1050611-00-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1050611-00-1(Hazardous Substances Data)

1050611-00-1 Usage

Uses

Used in Organic Synthesis:
(3-cyanooxetan-3-yl)acetic acid ethyl ester is used as a building block in organic synthesis for its potential to contribute to the development of pharmaceuticals and agrochemicals. Its unique structure allows for the creation of novel compounds with specific properties and functions.
Used in Pharmaceutical Development:
In the pharmaceutical industry, (3-cyanooxetan-3-yl)acetic acid ethyl ester is used as a key intermediate in the synthesis of new drugs. Its reactivity and the ability to form various derivatives make it valuable for designing and optimizing drug candidates with improved efficacy and safety profiles.
Used in Agrochemical Development:
Similarly, in agrochemicals, (3-cyanooxetan-3-yl)acetic acid ethyl ester serves as a crucial component in the synthesis of new pesticides, herbicides, and other crop protection agents. Its potential to enhance the effectiveness and selectivity of these chemicals is of significant interest to the industry.
Used in Research and Development of New Materials:
(3-cyanooxetan-3-yl)acetic acid ethyl ester is also used in the research and development of new materials, where its unique properties can be leveraged to create innovative materials with specific applications in various industries.
Used in Chemical Process Development:
Furthermore, this compound is utilized in the development of new chemical processes, where its reactivity and properties can be harnessed to improve the efficiency, yield, or selectivity of chemical reactions.
Overall, (3-cyanooxetan-3-yl)acetic acid ethyl ester is a multifaceted chemical with a broad spectrum of applications across different industries, making it a valuable asset in the advancement of science and technology.

Check Digit Verification of cas no

The CAS Registry Mumber 1050611-00-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,5,0,6,1 and 1 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1050611-00:
(9*1)+(8*0)+(7*5)+(6*0)+(5*6)+(4*1)+(3*1)+(2*0)+(1*0)=81
81 % 10 = 1
So 1050611-00-1 is a valid CAS Registry Number.

1050611-00-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl (3-cyano-3-oxetanyl)acetate

1.2 Other means of identification

Product number -
Other names 2,2'-(2,4,6-trimethyl-1,3-phenylene)diacetonitrile

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:1050611-00-1 SDS

1050611-00-1Downstream Products

1050611-00-1Relevant articles and documents

Macrocyclic MCL-1 inhibitors and methods of use

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Paragraph 0896, (2019/02/28)

The present disclosure provides for compounds of Formula (I) wherein A2, A3, A4, A6, A7, A8, A15, RA, R5, R9, R10A, R10B, R11, R12, R13, R14, R16, W, X, and Y have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents for the treatment of diseases and conditions, including cancer. Also provided are pharmaceutical compositions comprising compounds of Formula (I).

Oxetanes in drug discovery: Structural and synthetic insights

Wuitschik, Georg,Carreira, Erick M.,Wagner, Bj?rn,Fischer, Holger,Parrilla, Isabelle,Schuler, Franz,Rogers-Evans, Mark,Müller, Klaus

supporting information; experimental part, p. 3227 - 3246 (2010/08/19)

An oxetane can trigger profound changes in aqueous solubility, lipophilicity, metabolic stability, and conformational preference when replacing commonly employed functionalities such as gem-dimethyl or carbonyl groups. The magnitude of these changes depends on the structural context. Thus, by substitution of a gem-dimethyl group with an oxetane, aqueous solubility may increase by a factor of 4 to more than 4000 while reducing the rate of metabolic degradation in most cases. The incorporation of an oxetane into an aliphatic chain can cause conformational changes favoring synclinal rather than antiplanar arrangements of the chain. Additionally spirocyclic oxetanes (e.g., 2-oxa-6-aza-spiro[3.3]heptane) bear remarkable analogies to commonly used fragments in drug discovery, such as morpholine, and are even able to supplant the latter in its solubilizing ability. A rich chemistry of oxetan-3-one and derived Michael acceptors provide venues for the preparation of a broad variety of novel oxetanes not previously documented, thus providing the foundation for their broad use in chemistry and drug discovery.

COMPOUNDS FOR TREATING VIRAL INFECTIONS

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Page/Page column 87-88, (2008/12/08)

The invention relates to compounds, pharmaceutical compositions and methods useful for treating viral infection.

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