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P-Toluenesulfonic acid 1-butyn-3-yl ester, also known as butynyl tosylate, is a chemical compound characterized by its high reactivity and ability to promote selective reactions in complex organic molecules. It is a colorless to pale yellow liquid with a strong, pungent odor, and is recognized for its versatile applications in chemical synthesis, particularly in the production of pharmaceuticals, agrochemicals, and organic materials.

53487-52-8

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53487-52-8 Usage

Uses

Used in Pharmaceutical Industry:
P-Toluenesulfonic acid 1-butyn-3-yl ester is used as a catalyst for various chemical reactions in the synthesis of pharmaceuticals. Its high reactivity and selectivity make it a valuable tool in the production of complex organic molecules required for drug development.
Used in Agrochemical Industry:
In the agrochemical sector, P-TOLUENESULFONIC ACID 1-BUTYN-3-YL ESTER serves as a catalyst in the synthesis of various agrochemicals, contributing to the development of effective and selective pesticides and other agricultural products.
Used in Organic Material Synthesis:
P-Toluenesulfonic acid 1-butyn-3-yl ester is utilized as a reagent in the synthesis of organic materials, where its ability to promote selective reactions is crucial for creating specific compounds with desired properties.
Due to its corrosive and toxic properties, P-TOLUENESULFONIC ACID 1-BUTYN-3-YL ESTER is typically handled and stored with caution, ensuring safety in its applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 53487-52-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,4,8 and 7 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 53487-52:
(7*5)+(6*3)+(5*4)+(4*8)+(3*7)+(2*5)+(1*2)=138
138 % 10 = 8
So 53487-52-8 is a valid CAS Registry Number.

53487-52-8 Well-known Company Product Price

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  • TCI America

  • (T1224)  1-Butyn-3-yl p-Toluenesulfonate  >98.0%(GC)

  • 53487-52-8

  • 5g

  • 1,150.00CNY

  • Detail

53487-52-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name p-Toluenesulfonic Acid 1-Butyn-3-yl Ester

1.2 Other means of identification

Product number -
Other names 1-Butyn-3-yl p-Toluenesulfonate

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:53487-52-8 SDS

53487-52-8Relevant academic research and scientific papers

A fragment-like approach to PYCR1 inhibition

Milne, Kirsty,Sun, Jianhui,Zaal, Esther A.,Mowat, Jenna,Celie, Patrick H.N.,Fish, Alexander,Berkers, Celia R.,Forlani, Giuseppe,Loayza-Puch, Fabricio,Jamieson, Craig,Agami, Reuven

supporting information, p. 2626 - 2631 (2019/07/30)

Pyrroline-5-carboxylate reductase 1 (PYCR1) is the final enzyme involved in the biosynthesis of proline and has been found to be upregulated in various forms of cancer. Due to the role of proline in maintaining the redox balance of cells and preventing apoptosis, PYCR1 is emerging as an attractive oncology target. Previous PYCR1 knockout studies led to a reduction in tumor growth. Accordingly, a small molecule inhibitor of PYCR1 could lead to new treatments for cancer, and a focused screening effort identified pargyline as a fragment-like hit. We report the design and synthesis of the first tool compounds as PYCR1 inhibitors, derived from pargyline, which were assayed to assess their ability to attenuate the production of proline. Structural activity studies have revealed the key determinants of activity, with the most potent compound (4) showing improved activity in vitro in enzyme (IC50 = 8.8 μM) and pathway relevant effects in cell-based assays.

Aryl radical cyclization with alkyne followed by tandem carboxylation in methyl 4-tert-butylbenzoate-mediated electrochemical reduction of 2-(2-propynyloxy)bromobenzenes in?the presence of carbon dioxide

Katayama, Asahi,Senboku, Hisanori,Hara, Shoji

, p. 4626 - 4636 (2016/07/18)

Constant current electrolysis of 2-(2-propynyloxy)bromobenzenes in DMF using an undivided cell equipped with a Pt cathode and an Mg anode in the presence of carbon dioxide and an electron transfer mediator, methyl 4-tert-butylbenzoate, resulted in aryl ra

CONJUGATE FOR TREATING MALARIA

-

Page/Page column 19; 20, (2016/02/29)

A peptide-polymer conjugate is provided for use in treating malaria infections, and in particular terminal or drug resistant malaria infections. The conjugate is formed from a polymer to which a peptide having activity against a malaria parasite is covale

Synthesis and reactivity of dipropargylic disulfides: tandem rearrangements, cyclization, and oxidative dimerization

Braverman, Samuel,Cherkinsky, Marina,Meridor, David,Sprecher, Milon

scheme or table, p. 1925 - 1930 (2010/04/24)

Synthesis and facile rearrangement and cyclization reaction of new dipropargylic disulfides are described. A possible mechanism for these transformations involving an initial double [2,3]-sigmatropic rearrangement to the elusive diallenyl disulfides via a thiosulfoxide intermediates is suggested.

Allenylmethylsilanes as nucleophiles in N-acyliminium ion chemistry

Mentink, Gertjan,Van Maarseveen, Jan H.,Hiemstra, Henk

, p. 3497 - 3500 (2007/10/03)

(matrix presented) Treatment of a variety of N-acyliminium ion precursors with 2,3-butadienyl(trimethyl)silane and related allenes in the presence of BF3·OEt2 provides good yields of N-protected 2-(aminomethyl)-substituted 1,3-dienes

Psychoactive propargylamine derivatives used in the treatment of anxiety, psychotic states or aggression

-

, (2008/06/13)

Propargylamine derivatives having the general formula: STR1 wherein R is a hydrogen atom, an unsubstituted phenyl group or a phenyl group substituted with halogen, trifluoromethyl, loweralkoxy, nitro, cyano, amido or N,N-diloweralkylamido, R1,

Radical-Stabilization-Energy - the MMEVBH Force Field

Roth, Wolfgang R.,Staemmler, Volker,Neumann, Martin,Schmuck, Carsten

, p. 1061 - 1118 (2007/10/02)

Making use of the VB method of Malrieu et al. a force field has been developed, which allows to calculate heats of formation of hydrocarbons (conjugated and non-conjugated olefins, radicals and diradicals) with high accuracy.With this method radical stabilization energies (RSE) for a great number of delocalized radicals are calculated and compared with experimental values, derived from shock-tube measurements of dissociation energies or from rotational barriers of substituted olefins.A detailed analysis of the RSE with respect to structure, substituents, strain, and aromaticity is presented. - Key Words: Resonance energy / Heats of formation / Single pulse shock tube / Intrisic rotational barrier

Practical and Safe Sulfonylation of 2-Alkynyl and 2-Alkenyl Alcohols Using the Combined Bases of a Catalytic Amount of Tertiary Amine and Potassium Carbonate

Tanabe, Yoo,Yamamoto, Hitomi,Yoshida, Yoshihiro,Miyawaki, Takashi,Utsumi, Naoka

, p. 297 - 300 (2007/10/02)

Several 2-alkynyl and 2-alkenyl alcohols were effectively sulfonylated with methanesulfonyl chloride or p-toluenesulfonyl chloride using the combined bases of a catalytic amount of tertiary amine and potassium carbonate.The reaction was conducted with reliable safety and while avoiding the disposal of wasted amines.The mesylation of 2-propyn-1-ol proceeded on a large scale (more than 20 kg) without a substantial production of explosive 3-chloro-1-propyne.The choice of the catalysts was important, and sterically unhindered tertiary amines, such as trimethylamine, N,N-d imethylbenzylamine, and triethylamine, were effective.Without these catalysts the reactions were significantly retarded.The reaction was so mild that it could be applied to complex and optically active 4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one, which is an important alcohol moiety of synthetic pyrethroids.

Palladium-catalyzed coupling of stannyl allenes with aryl iodides

Aidhen,Braslau

, p. 789 - 797 (2007/10/02)

Substituted allenes are prepared by coupling stannyl allenes with aryl iodides under palladium(0) catalysis. A concise and versatile sequence starting from propargyl alcohols provides a route for the preparation of substituted allenes under extremely mild conditions.

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