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3-(phenylsulfonylMethylene)oxetane is a chemical compound that belongs to the oxetane family, characterized by a sulfonyl group attached to a methylene bridge on the oxetane ring. With a molecular formula of C9H8O3S and a molecular weight of 196.22 g/mol, this compound is known for its unique chemical structure and reactivity.

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  • 1221819-46-0 Structure
  • Basic information

    1. Product Name: 3-(phenylsulfonylMethylene)oxetane
    2. Synonyms: 3-(phenylsulfonylMethylene)oxetane;3-(Benzenesulfonylmethylene)oxetane;3-((Phenylsulfonyl);3-[(benzenesulfonyl)methylidene]oxetane
    3. CAS NO:1221819-46-0
    4. Molecular Formula: C10H10O3S
    5. Molecular Weight: 210.2496
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1221819-46-0.mol
  • Chemical Properties

    1. Melting Point: 51-53 °C
    2. Boiling Point: 412.0±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.412±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(phenylsulfonylMethylene)oxetane(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(phenylsulfonylMethylene)oxetane(1221819-46-0)
    11. EPA Substance Registry System: 3-(phenylsulfonylMethylene)oxetane(1221819-46-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1221819-46-0(Hazardous Substances Data)

1221819-46-0 Usage

Uses

Used in Organic Synthesis:
3-(phenylsulfonylMethylene)oxetane is used as a reagent in organic synthesis for creating new carbon-carbon bonds and functional group transformations. Its unique chemical structure and reactivity make it a valuable tool in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
3-(phenylsulfonylMethylene)oxetane has potential applications in the pharmaceutical industry due to its unique chemical properties. Further research on this compound may lead to the development of novel drugs with improved properties and therapeutic effects.
Used in Material Science Industry:
In the material science industry, 3-(phenylsulfonylMethylene)oxetane can be utilized for the development of new materials with enhanced properties. Its unique chemical structure and reactivity can contribute to the creation of innovative materials for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1221819-46-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,2,1,8,1 and 9 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1221819-46:
(9*1)+(8*2)+(7*2)+(6*1)+(5*8)+(4*1)+(3*9)+(2*4)+(1*6)=130
130 % 10 = 0
So 1221819-46-0 is a valid CAS Registry Number.

1221819-46-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-[(Phenylsulfonyl)methylene]oxetane

1.2 Other means of identification

Product number -
Other names 3-(benzoylamino-methylene)-2,3-dihydro-isoindol-1-one

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:1221819-46-0 SDS

1221819-46-0Relevant articles and documents

PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS

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Page/Page column 138, (2019/01/10)

Compounds of Formula (I), Formula (II), Formula (III), Formula (IV), Formula (V), Formula (VI), Formula (VII), Formula (VIII), and methods of use as lnterleukin-1 Receptor Associated Kinase (IRAK4) inhibitors are described herein.

Synthesis of 6-Azaspiro[4.3]alkanes: Innovative Scaffolds for Drug Discovery

Chalyk, Bohdan A.,Isakov, Andrei A.,Butko, Maryna V.,Hrebeniuk, Kateryna V.,Savych, Olena V.,Kucher, Olexandr V.,Gavrilenko, Konstantin S.,Druzhenko, Tetiana V.,Yarmolchuk, Vladimir S.,Zozulya, Sergey,Mykhailiuk, Pavel K.

, p. 4530 - 4542 (2017/08/30)

New scaffolds for drug discovery, 6-azaspiro[4.3]alkanes, have been synthesized in two steps from four-membered-ring ketones: cyclobutanone, thienone, N-Boc-azetidinone (Boc = tert-butoxycarbonyl), etc. The key transformation was the reaction between electron-deficient exocyclic alkenes and an in-situ generated N-benzylazomethine ylide.

METHODS AND COMPOSITIONS FOR TREATING INFECTION

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Paragraph 0271, (2015/09/28)

Provided herein are compositions and methods for treating or preventing infection.

Repurposing the antihistamine terfenadine for antimicrobial activity against staphylococcus aureus

Perlmutter, Jessamyn I.,Forbes, Lauren T.,Krysan, Damian J.,Ebsworth-Mojica, Katherine,Colquhoun, Jennifer M.,Wang, Jenna L.,Dunman, Paul M.,Flaherty, Daniel P.

supporting information, p. 8540 - 8562 (2014/12/11)

Staphylococcus aureus is a rapidly growing health threat in the U.S., with resistance to several commonly prescribed treatments. A high-throughput screen identified the antihistamine terfenadine to possess, previously unreported, antimicrobial activity against S. aureus and other Gram-positive bacteria. In an effort to repurpose this drug, structure-activity relationship studies yielded 84 terfenadine-based analogues with several modifications providing increased activity versus S. aureus and other bacterial pathogens, including Mycobacterium tuberculosis. Mechanism of action studies revealed these compounds to exert their antibacterial effects, at least in part, through inhibition of the bacterial type II topoisomerases. This scaffold suffers from hERG liabilities which were not remedied through this round of optimization; however, given the overall improvement in activity of the set, terfenadine-based analogues provide a novel structural class of antimicrobial compounds with potential for further characterization as part of the continuing process to meet the current need for new antibiotics.

TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS

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Page/Page column 92, (2013/03/26)

The present invention provides a compound of formula I: (I) a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

IMIDAZOPYRAZINE SYK INHIBITORS

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Paragraph 0275, (2014/01/08)

Certain imidazopyrazines and pharmaceutical compositions thereof are provided herein. Methods of treating patients suf-fering from certain diseases and disorders responsive to the inhibition of Syk activity, which comprises administering to such patients an amount of an imidazopyrazine compound effective to reduce signs or symptoms of the disease or dis-order are provided.

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.

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