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(S)-2-(3,4-Difluorophenyl)oxirane, with the molecular formula C8H6F2O, is an oxirane, a three-membered cyclic ether containing one oxygen and two carbon atoms. As a chiral molecule, it possesses a non-superimposable mirror image. (S)-2-(3,4-Difluorophenyl)oxirane is renowned for its unique reactivity and properties due to the difluorophenyl group attached to the oxirane ring, establishing it as a significant building block in organic chemistry.

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  • 1006376-63-1 Structure
  • Basic information

    1. Product Name: (S)-2-(3,4-Difluorophenyl)oxirane
    2. Synonyms: (S)-2-(3,4-Difluorophenyl)oxirane;Oxirane, 2-(3,4-difluorophenyl)-,(2S)-
    3. CAS NO:1006376-63-1
    4. Molecular Formula: C8H6F2O
    5. Molecular Weight: 156.1294464
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1006376-63-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 186.8±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.335±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-2-(3,4-Difluorophenyl)oxirane(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-2-(3,4-Difluorophenyl)oxirane(1006376-63-1)
    11. EPA Substance Registry System: (S)-2-(3,4-Difluorophenyl)oxirane(1006376-63-1)
  • 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: 1006376-63-1(Hazardous Substances Data)

1006376-63-1 Usage

Uses

Used in Organic Synthesis:
(S)-2-(3,4-Difluorophenyl)oxirane is utilized as a reagent in organic synthesis for its ability to participate in various reactions such as ring-opening, leading to the formation of diverse chemical compounds.
Used in Pharmaceutical Production:
In the pharmaceutical industry, (S)-2-(3,4-Difluorophenyl)oxirane is employed as a key intermediate due to its unique properties, which are leveraged in the development of new drugs.
Used in Agrochemicals:
Similarly, in agrochemicals, (S)-2-(3,4-Difluorophenyl)oxirane serves as a vital component in the synthesis of various agrochemical products, contributing to its broad applications in this field.
Overall, (S)-2-(3,4-Difluorophenyl)oxirane is an important chemical compound with versatile applications across different sectors, particularly in the synthesis of pharmaceuticals and agrochemicals, where its unique reactivity and properties are highly valued.

Check Digit Verification of cas no

The CAS Registry Mumber 1006376-63-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,6,3,7 and 6 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1006376-63:
(9*1)+(8*0)+(7*0)+(6*6)+(5*3)+(4*7)+(3*6)+(2*6)+(1*3)=121
121 % 10 = 1
So 1006376-63-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2/t8-/m1/s1

1006376-63-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (2S)-2-(3,4-Difluorophenyl)oxirane

1.2 Other means of identification

Product number -
Other names (S)-2-(3,4-Difluorophenyl)oxirane

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:1006376-63-1 SDS

1006376-63-1Relevant articles and documents

Structure-activity and structure-property relationship studies of spirocyclic chromanes with antimalarial activity

Casandra, Debora R.,Chakrabarti, Debopam,Iyamu, Iredia D.,Kyle, Dennis E.,Manetsch, Roman,Parvatkar, Prakash T.,Roberts, Bracken F.,Wojtas, Lukasz,Zhao, Yingzhao

, (2022/01/28)

Malaria is a prevalent and lethal disease. The fast emergence and spread of resistance to current therapies is a major concern and the development of a novel line of therapy that could overcome, the problem of drug resistance, is imperative. Screening of a set of compounds with drug/natural product-based sub-structural motifs led to the identification of spirocyclic chroman-4-one 1 with promising antimalarial activity against the chloroquine-resistant Dd2 and chloroquine-sensitive 3D7 strains of the parasite. Extensive structure-activity and structure-property relationship studies were conducted to identify the essential features necessary for its activity and properties.

Preparation method of phenyl-containing compound

-

Paragraph 0084-0086, (2022/01/04)

The present invention discloses a method for preparing an phenyl-containing compound. The present invention provides a method for preparing a compound shown in formula I, comprising the following steps: in the presence of formamide or acetamide, in the pr

Method for preparing (S)-2-(3,4-difluorophenyl)ethylene oxide

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Paragraph 0019; 0042-0044; 0047-0066, (2019/07/16)

The invention relates to a method for preparing (S)-2-(3,4-difluorophenyl)ethylene oxide. The invention relates to the technical field of pharmaceutical and chemical synthesis, and discloses a methodfor producing the (S)-2-(3,4-difluorophenyl)ethylene oxi

Method for preparing ticagrelor intermediate

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Paragraph 0023; 0028; ; 0030; 0033, (2018/03/06)

The invention discloses a method for preparing a ticagrelor intermediate. The method comprises the following steps: taking o-difluorobenzene and chloroacetyl chloride as initial raw materials, carrying out an F-K reaction, a bio-enzyme fermentation technology asymmetric reduction reaction, a ring-closure reaction and a cyclopropanation reaction, so as to obtain the key intermediate (1R, 2R)-2-(3,4-difluorophenyl) cyanocyclopropane carboxylate of the ticagrelor at high yield, high enantioselectivity and high purity. The method can realize industrialized production. The method is low in energy consumption, less in pollution, green, clean, high in yield and high in purity, the cost is reduced, the product quality is stable, and the method is suitable for large-scale stable industrial production.

Preparation process for (1R,2S)-1-cyano-2-(3,4-difluoro-phenyl)cyclopropane

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Paragraph 0025-0027; 0028-0030; 0031-0033, (2017/08/29)

The invention discloses a preparation process for (1R,2S)-1-cyano-2-(3,4-difluoro-phenyl)cyclopropane. The preparation process comprises the following steps: 1) in the presence of (S)-(+)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate, performing a contact reaction on 3,4-difluorostyrene and hydrogen peroxide to obtain (2S)-2-(3,4-diflurophenyl)-ethylene oxide; 2) in the presence of alkali, making the (2S)-2-(3,4-diflurophenyl)-ethylene oxide react with diethyl cyanomethylphosphonate in 1,4-dioxane to obtain a target product. By adopting the preparation process, the use of chiral raw materials is avoided, and the reaction cost is lowered; moreover, the (1R,2S)-1-cyano-2-(3,4-difluoro-phenyl)cyclopropane is synthesized conveniently through the diethyl cyanomethylphosphonate, so that high overall yield and three-dimensional selectivity are achieved; furthermore, the method is easy and convenient to operate, and is suitable for industrial expandable production.

Process for preparing aromatic hot melt adhesives and amine chemical method

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Paragraph 0063; 0064; 0065; 0066; 0067; 0068, (2017/04/21)

The invention relates to a method for preparing trans-aryl cyclopropanecarbonitrile with a structure shown in a formula (IV) in the specification through reaction between aryl substituted ethylene oxide and cyan substituted phosphate and further relates t

Preparation of (1R, 2S) - 2 - (3,4-difluorophenyl) method of cyclopropylamine (by machine translation)

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Paragraph 0081; 0082; 0083; 0084, (2016/10/20)

Preparation of (1R, 2S) - 2 - (3,4-difluorophenyl) method of cyclopropylamine, comprising 1,2-difluorobenzene as raw material is introduced to the reaction at benzene ring through acetyl; composition after reduction with borohydride, dead circulation of the reaction, the racemate 3,4-difluoro-phenyl oxirane; racemate 3,4-difluoro-phenyl oxirane under the action of a catalyst, and water undergo hydrolysis reactions to form a (s) - 3,4-difluoro-phenyl oxirane ; (s) - 3,4-difluoro-phenyl ethylene oxide and phosphorus acyl acetic acid three diethlyl reaction, and then carry on aminolysis and Hofmann degradation reaction, can obtain (1R, 2S) - 2 - (3,4-difluorophenyl) ring propylamine. This method can avoid the chiral oxidizing-reducing the use of expensive reagent; obtained by kinetic resolution of (s) - 3,4-difluoro-phenyl oxirane, its low cost of raw materials, the catalyst can be used repeatedly; the split configuration of R-configuration by-product can be obtained after transformation (s) - 3,4-difluoro-phenyl oxirane, intermediate cost can be reduced. (by machine translation)

PREPARATION OF TICAGRELOR

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Paragraph 0203, (2015/03/16)

Provided are processes for preparing Ticagrelor and its intermediates that are useful in the processes. Also provided are salts of Ticagrelor, their processes and solid dispersion of Ticagrelor having Ticagrelor in amorphous form.

Synthesis and biological evaluation of ticagrelor derivatives as novel antiplatelet agents

Zhang, Hao,Liu, Jun,Zhang, Luyong,Kong, Lingyi,Yao, Hequan,Sun, Hongbin

supporting information; experimental part, p. 3598 - 3602 (2012/07/14)

Ticagrelor (1) is the first reversible P2Y12 receptor antagonist blocking adenine diphosphate (ADP)-induced platelet aggregation with rapid onset and offset of effects. In this study, synthesis of ticagrelor and its derivatives has been accomplished in a convergent way. The compound design was based on modifications of ticagrelor and its major metabolite (33) in order to ameliorate their pharmacokinetic properties and dosing profile. The final compounds (1a-g, 35a-g) were evaluated for their inhibitory effect on ADP-induced platelet aggregation in rats. The assay results showed that some compounds (e.g., 1b, 1d, 33, 35b, 35f) exhibited comparable potency with that of ticagrelor.

A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOPROPYLAMINES

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Page/Page column 30, (2008/06/13)

This invention relates to a process for the production of optically active 2-(disubstituted aryl) cyclopropylamine derivatives and optically active 2-(disubstituted aryl) cyclopropane carboxamide derivative which are useful intermediates for the preparati

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