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3-Butynyl Methanesulfonate is an organic compound that serves as a valuable reagent in the synthesis of various chemical compounds, particularly those with potential pharmaceutical applications. It is characterized by its unique structure, which includes a butynyl group and a methanesulfonate group, allowing it to participate in a range of chemical reactions.

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  • 72486-09-0 Structure
  • Basic information

    1. Product Name: 3-Butynyl Methanesulfonate
    2. Synonyms: 3-Butynyl Methanesulfonate;3-Butyn-1-ol, 1-methanesulfonate;BUT-3-YN-1-YL METHANESULFONATE(WXC08329)
    3. CAS NO:72486-09-0
    4. Molecular Formula: C5H8O3S
    5. Molecular Weight: 148.18022
    6. EINECS: N/A
    7. Product Categories: Miscellaneous Reagents, Sulfur & Selenium Compounds
    8. Mol File: 72486-09-0.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-Butynyl Methanesulfonate(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-Butynyl Methanesulfonate(72486-09-0)
    11. EPA Substance Registry System: 3-Butynyl Methanesulfonate(72486-09-0)
  • 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: 72486-09-0(Hazardous Substances Data)

72486-09-0 Usage

Uses

Used in Pharmaceutical Industry:
3-Butynyl Methanesulfonate is used as a reagent for the preparation of CDC25 phosphatase inhibitors, which are crucial in the development of cancer treatment strategies. By targeting and inhibiting CDC25 phosphatases, these compounds can disrupt cell signaling pathways and lead to the inhibition of tumor growth, making them a promising avenue for cancer research and therapeutic development.

Check Digit Verification of cas no

The CAS Registry Mumber 72486-09-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,4,8 and 6 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 72486-09:
(7*7)+(6*2)+(5*4)+(4*8)+(3*6)+(2*0)+(1*9)=140
140 % 10 = 0
So 72486-09-0 is a valid CAS Registry Number.

72486-09-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name but-3-yn-1-ol,methanesulfonic acid

1.2 Other means of identification

Product number -
Other names 3-Butyn-1-ol,methanesulfonate

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:72486-09-0 SDS

72486-09-0Relevant articles and documents

Synthesis and evaluation of Re/99mTc(I) complexes bearing a somatostatin receptor-targeting antagonist and labeled via a novel [N,S,O] clickable bifunctional chelating agent

Radford, Lauren L.,Papagiannopoulou, Dionysia,Gallazzi, Fabio,Berendzen, Ashley,Watkinson, Lisa,Carmack, Terry,Lewis, Michael R.,Jurisson, Silvia S.,Hennkens, Heather M.

, p. 492 - 501 (2019)

The somatostatin receptor subtype 2 (SSTR2) is often highly expressed on neuroendocrine tumors (NETs), making it a popular in vivo target for diagnostic and therapeutic approaches aimed toward management of NETs. In this work, an antagonist peptide (ssts

Silver-Catalyzed Cascade Cyclization/1,6-Conjugate Addition of Homopropargyl Sulfonamides to p-Quinone Methides: An Approach to Diverse 3-Diarylmethine Substituted Dihydropyrroles

Shirsath, Sachin R.,Ghotekar, Ganesh S.,Bahadur, Vir,Gonnade, Rajesh G.,Muthukrishnan

, p. 15038 - 15050 (2020)

A silver-catalyzed cycloisomerization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides to access diverse diarylmethine substituted dihydropyrroles has been disclosed. The reaction pathway involves an intramolecular cascade cyclization of homopropargyl sulfonamides to generate a highly reactive dihydropyrrole intermediate in situ followed by conjugate addition with p-quinone methides. This method provides an efficient and scalable route for the synthesis of 3-diarylmethine substituted dihydropyrroles, in one pot.

New polyelectrolytes based on 4-vinyl-1,2,3-triazole and 1-vinylimidazole

Danilovtseva, Elena N.,Chafeev, Mikhail A.,Annenkov, Vadim V.

, p. 1539 - 1546 (2012)

Copolymers of 4-vinyl-1,2,3-triazole and 1-vinylimidazole (VI) were obtained by radical copolymerization of (4-vinyl-1H-1,2,3-triazol-1-yl)methyl pivalate with VI followed by alkali hydrolysis. Reactivity ratios of the triazole and imidazole monomers are 0.51 and 0.30, respectively. Theoretical quantum-chemical calculations by the PM3 semiempirical method give close values, which show that the obtained reactivity ratios reflect the activity of the vinyl groups. Polyelectrolyte properties of the copolymers were studied by potentiometric titration. Hydrogen bonds between the protonated triazole cycle and the triazole or imidazole units were found to considerably influence the solubility and solution properties of the copolymers.

A versatile new monomer family: Functionalized 4-vinyl-1,2,3-triazoles via click chemistry

Thibault, Raymond J.,Takizawa, Kenichi,Lowenheilm, Peter,Helms, Brett,Mynar, Justin L.,Frechet, Jean M. J.,Hawker, Craig J.

, p. 12084 - 12085 (2006)

Using facile, highly modular synthetic approaches, a new monomer family based on a 1,2,3-triazole-4-vinyl building block has been prepared, and various functional derivatives have been obtained. Subsequent homo- and copolymerization of these novel functionalized monomers gives polymeric materials with unique physical properties, combining many attractive features of more traditional monomers, such as styrene, vinylpyridine, and meth/acrylates. Copyright

RET Inhibitor. Pharmaceutical composition and use thereof

-

Paragraph 0415-0418, (2021/11/26)

The invention belongs to the field of medicines, and relates to a novel RET inhibitor, a pharmaceutical composition and application thereof. , The present invention relates to a compound represented by formula (I), a stereoisomer, a geometric isomer, a tautomer, an oxynitride, a solvate, a metabolite, a pharmaceutically acceptable salt or prodrug thereof, I, and a pharmaceutical composition thereof in the manufacture of a medicament, in particular for the treatment and prevention and RET of diseases and disorders associated with irritable bowel syndrome.

Discovery of a novel family of FKBP12 “reshapers” and their use as calcium modulators in skeletal muscle under nitro-oxidative stress

Aizpurua, Jesus M.,Miranda, José I.,Irastorza, Aitziber,Torres, Endika,Eceiza, Maite,Sagartzazu-Aizpurua, Maialen,Ferrón, Pablo,Aldanondo, Garazi,Lasa-Fernández, Haizpea,Marco-Moreno, Pablo,Dadie, Naroa,López de Munain, Adolfo,Vallejo-Illarramendi, Ainara

, (2021/01/25)

The hypothesis of rescuing FKBP12/RyR1 interaction and intracellular calcium homeostasis through molecular “reshaping” of FKBP12 was investigated. To this end, novel 4-arylthioalkyl-1-carboxyalkyl-1,2,3-triazoles were designed and synthesized, and their e

Switchable Divergent Synthesis in Gold-Catalyzed Difunctionalizations of o-Alkynylbenzenesulfonamides with Aryldiazonium Salts

Li, Jun,Shi, Hongwei,Zhang, Shan,Rudolph, Matthias,Rominger, Frank,Hashmi, A. Stephen K.

supporting information, p. 7713 - 7717 (2021/10/20)

Gold-catalyzed difunctionalizations of o-alkynylbenzenesulfonamides with aryldiazonium salts are reported herein. Upon irradiation with the blue LEDs, benzosultam products were formed via aminoarylation accompanied by the release of N2. Without irradiatio

?-LACTAMASE INHIBITOR AND USE THEREOF

-

Paragraph 0222; 0223, (2020/12/10)

Provided are a β-lactamase inhibitor of formula (I), or an ester, a stereoisomer or a pharmaceutically acceptable salt thereof, and a method of preparing the same. Further provided is a pharmaceutical composition comprising the β-lactamase inhibitor of formula (I), or the ester, the stereoisomer or pharmaceutically acceptable salt thereof. In addition, the present invention relates to a method for treating diseases caused by bacterial infection, which comprises administering the β-lactamase inhibitor of formula (I), or the ester, the stereoisomer or the pharmaceutically acceptable salt thereof to a patient or a subject in need.

Synthesis of Exo- and Endocyclic Enamides Through Copper-Catalyzed Regioselective Intramolecular N-Halovinylation

Bergeron, Jodrey,Daoust, Benoit,Gilbert, Nicolas,Lambolez, Pierre,Ricard, Simon

supporting information, (2020/05/04)

Cross-couplings between amides and 1,2-dihaloalkenes are an efficient and straightforward way to access β-haloenamides which, in turn, can be functionalized into complex, stereodefined enamide motifs. However, the intramolecular version of these cross-couplings, leading to cyclic β-haloenamides, has not been formally studied. In this paper, we report an investigation of factors affecting the efficiency of the reaction and its selectivity between potential exo and endo cyclization products. We demonstrate that exo/endo selectivity is largely determined by ring strain, whether it arises from the size of the resulting ring or from the structure of the starting compound, but that selectivity can also be modulated by varying reaction conditions. Finally, we show that resulting β-haloenamides readily undergo transition metal-catalyzed reactions, making this sequence a viable way to access highly functionalized cyclic enamides.

Aldehyde-mediated bioconjugation: Via in situ generated ylides

Parmar, Sangeeta,Pawar, Sharad P.,Iyer, Ramkumar,Kalia, Dimpy

supporting information, p. 14926 - 14929 (2019/12/24)

A technically simple approach for rapid, high-yielding and site-selective bioconjugation has been developed for both in vitro and cellular applications. This method involves the generation of maleimido-phosphonium ylides via 4-nitrophenol catalysis under physiological conditions followed by their Wittig reactions with aldehyde-appended biomolecules.

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