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METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER, with the chemical formula C7H11F5O3S, is a highly reactive chemical compound used as a reagent in the field of chemistry. The presence of five fluorine atoms in its structure provides significant stability, helping to resist unwanted side reactions. This acid ester is a valuable tool in synthetic chemistry, often playing a critical role in the creation of larger, more complex compounds.

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  • 252947-01-6 Structure
  • Basic information

    1. Product Name: METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER
    2. Synonyms: 4,4,5,5,5-PENTAFLUOROPENTYL METHANESULFONATE;4,4,5,5,5-PENTAFLUOROPENTYLMETHANSULFONATE;METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER;4,4,5,5,5-Pentafluoropentylmethanesulphonate;4,4,5,5,5-PENTAFLUOROPENTYL METHANESULFONATE(WXG02862)
    3. CAS NO:252947-01-6
    4. Molecular Formula: C6H9F5O3S
    5. Molecular Weight: 256.19
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 252947-01-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 243.7±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.405±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER(252947-01-6)
    11. EPA Substance Registry System: METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER(252947-01-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: 24/25
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 252947-01-6(Hazardous Substances Data)

252947-01-6 Usage

Uses

Used in Organic Synthesis:
METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER is used as a reagent in organic synthesis for its high reactivity and stability, enabling the formation of larger, more complex compounds.
Used in Chemical Research:
In the field of chemical research, METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER is used as a research tool to study its properties and potential applications in various chemical reactions.
Used in Pharmaceutical Industry:
METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER is used as an intermediate in the synthesis of pharmaceutical compounds, contributing to the development of new drugs and medications.
Used in Material Science:
In material science, METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER is used in the development of new materials with specific properties, such as enhanced stability and reactivity.
Safety Precautions:
METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER is a potentially hazardous substance that should be handled with care. It is corrosive and may cause severe burns and eye damage. Proper safety measures, including the use of personal protective equipment and handling in a well-ventilated area, should be taken to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 252947-01-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,2,9,4 and 7 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 252947-01:
(8*2)+(7*5)+(6*2)+(5*9)+(4*4)+(3*7)+(2*0)+(1*1)=146
146 % 10 = 6
So 252947-01-6 is a valid CAS Registry Number.

252947-01-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4,5,5,5-pentafluoropentyl methanesulfonate

1.2 Other means of identification

Product number -
Other names 4,4,5,5,5-pentafluoropentylmethansulfonate

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:252947-01-6 SDS

252947-01-6Relevant articles and documents

A new compound and its preparation method and elimination method (by machine translation)

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Paragraph 0034; 0035, (2018/01/06)

The invention relates to medical and chemical field, provides a new compound, the compounds have the formula I structure, is preparing novel anti-breast cancer drug of fulvestrant in the process more difficult to avoid one of the impurity. The present invention provides a compound of formula I of the synthetic route, and to reduce or avoid the preparation of fluorine Uygursi Qun produced in the process of method, and in its generated after the method of removing it, not only reduces the growing into this impurity the waste of raw materials, also there to have ruled out the impurities to the rear edge of fulvestrant to purification of the product and the impact of the yield. (by machine translation)

TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE

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Page/Page column 59, (2016/12/22)

Disclosed herein are compounds, or pharmaceutically acceptable salts thereof, and methods of using the compounds for treating breast cancer by administration to a subject in need thereof a therapeutically effective amount of the compounds or pharmaceutically acceptable salts thereof. The breast cancer may be an ER-positive breast cancer and/or the subject in need of treatment may express a mutant ER-α protein.

Fulvestrant process for the preparation of intermediates

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Paragraph 0106-0108, (2017/03/08)

The invention provides a preparation method of a fulvestrant intermediate. The preparation method of the fulvestrant intermediate is characterized in that a water extraction starting material 1,9-nonanediol is adopted for controlling the content of 1,8-octylene glycol, an antioxidant is added for reducing byproducts which are generated by Michael addition and difficult to purify and pH value is regulated for reducing production of aromatized impurities difficult to remove, so that a route for preparing fulvestrant by virtue of the fulvestrant intermediate has the advantages that a final product is difficult to purify, the cost is low and industrialization can be easily realized. The prepared fulvestrant intermediate lays a key foundation for obtaining a route for synthesizing fulvestrant which is easy to purify and easy for industrialization.

PROCESS AND INTERMEDIADES FOR THE PREPARATION OF 7-ALKYLATED STEROIDS

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Page/Page column 58, (2015/12/17)

A process for preparing compounds of formula (I), or a salt, solvate or stereoisomer thereof, including Fulvestrant, which process comprises free radical to a compound of formula (III), or a salt, solvate or stereoisomer thereof. The invention also refers to intermediates of said process.

PROCESS FOR PREPARING 7-ALPHA-[9-(4,4,5,5,5-PENTAFLUOROTHIOPENTYL) NONYL]ESTRA-1,3,5(10)-TRIENE-3,17-BETA-DIOL

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Paragraph 0080; 0081; 0082, (2014/09/02)

A process is described for the industrial scale preparation of 7a-[9-(4,4,5,5,5- 5 pentafluorothiopentyI)nonyl]estra-1,3,5(10)-triene-3,17?-diol, a precursor of steroids with hormonal activity which include Fulvestrant.

GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME

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Page/Page column 86, (2011/12/12)

Disclosed are compounds useful as gonadotropin-releasing hormone ("GnRH") receptor antagonist.

ITZ-1, a Client-Selective Hsp90 Inhibitor, Efficiently Induces Heat Shock Factor 1 Activation

Kimura, Haruhide,Yukitake, Hiroshi,Tajima, Yasukazu,Suzuki, Hirobumi,Chikatsu, Tomoko,Morimoto, Shinji,Funabashi, Yasunori,Omae, Hiroaki,Ito, Takashi,Yoneda, Yukio,Takizawa, Masayuki

supporting information; experimental part, p. 18 - 27 (2010/08/06)

ITZ-1 is a chondroprotective agent that inhibits interleukin-1β-induced matrix metalloproteinase-13 (MMP-13) production and suppresses nitric oxide-induced chondrocyte death. Here we describe its mechanisms of action. Heat shock protein 90 (Hsp90) was identified as a specific ITZ-1-binding protein. Almost all known Hsp90 inhibitors have been reported to bind to the Hsp90 N-terminal ATP-binding site and to simultaneously induce degradation and activation of its multiple client proteins. However, within the Hsp90 client proteins, ITZ-1 strongly induces heat shock factor-1 (HSF1) activation and causes mild Raf-1 degradation, but scarcely induces degradation of a broad range of Hsp90 client proteins by binding to the Hsp90 C terminus. These results may explain ITZ-1's inhibition of MMP-13 production, its cytoprotective effect, and its lower cytotoxicity. These results suggest that ITZ-1 is a client-selective Hsp90 inhibitor.

Fulvestrant: From the laboratory to commercial-scale manufacture

Brazier, Eve J.,Hogan, Philip J.,Leung, Chiu W.,O'Kearney-McMullan, Anne,Norton, Alison K.,Powell, Lyn,Robinson, Graham E.,Williams, Emyr G.

experimental part, p. 544 - 552 (2011/07/30)

The development of a commercial manufacturing process for fulvestrant (the active ingredient in 'Faslodex') is described. Key steps in the synthesis are stereoselective 1,6-addition of an organocuprate to a steroidal dienone followed by copper-mediated aromatisation of the A-ring. The strategy for dealing with noncrystalline intermediates is outlined. The production of drug substance of acceptable quality is critically dependent on limiting the formation of key impurities. The origin of these impurities is discussed, and measures to prevent or control their formation are described.

Discovery of thiochroman and chroman derivatives as pure antiestrogens and their structure-activity relationship

Kanbe, Yoshitake,Kim, Myung-Hwa,Nishimoto, Masahiro,Ohtake, Yoshihito,Kato, Nobuaki,Tsunenari, Toshiaki,Taniguchi, Kenji,Ohizumi, Iwao,Kaiho, Shin-ichi,Morikawa, Kazumi,Jo, Jae-Chon,Lim, Hyun-Suk,Kim, Hak-Yeop

, p. 4803 - 4819 (2007/10/03)

In order to develop pure antiestrogens, a series of 7-hydroxy-3-(4-hydroxyphenyl)-3-methylchroman and 7-hydroxy-3-(4-hydroxyphenyl)-3-methylthiochroman derivatives with sulfoxide containing side chains at the 4-position were designed, synthesized, and eva

Process for the preparation of 7alpha-alkylated 19-norsteroids

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Page/Page column 25, (2008/06/13)

Processes useful in the preparation of pharmaceutical compounds such as fulvestrant and processes for the preparation of fulvestrant.

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