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1-(2,4-dichlorophenyl)prop-2-yn-1-ol, also known as propargyl 2,4-dichlorophenyl ether, is a chemical compound with the molecular formula C9H6Cl2O. It is a white to off-white solid with a molecular weight of 191.05 g/mol. 1-(2,4-dichlorophenyl)prop-2-yn-1-ol is commonly used in organic synthesis and pharmaceutical research as a reagent and intermediate. It has also been studied for its potential antibacterial and antifungal properties. Additionally, it is utilized in the production of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its versatile reactivity and functional group compatibility. Furthermore, 1-(2,4-dichlorophenyl)prop-2-yn-1-ol has shown promise in the field of material science for its potential use in the development of new types of polymers and materials.

29805-13-8

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29805-13-8 Usage

Uses

Used in Pharmaceutical Research:
1-(2,4-dichlorophenyl)prop-2-yn-1-ol is used as a reagent and intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapies.
Used in Agrochemical Production:
1-(2,4-dichlorophenyl)prop-2-yn-1-ol is used as a key intermediate in the production of agrochemicals, which are essential for the agricultural industry to protect crops and enhance yield.
Used in Specialty Chemicals:
1-(2,4-dichlorophenyl)prop-2-yn-1-ol is utilized in the creation of specialty chemicals, which have specific applications in various industries, such as coatings, adhesives, and sealants.
Used in Material Science:
In the field of material science, 1-(2,4-dichlorophenyl)prop-2-yn-1-ol is used for its potential in developing new types of polymers and materials, which could have a wide range of applications in different industries.
Used in Antibacterial and Antifungal Applications:
1-(2,4-dichlorophenyl)prop-2-yn-1-ol has been studied for its potential antibacterial and antifungal properties, making it a candidate for use in the development of new antimicrobial agents to combat resistant infections.

Check Digit Verification of cas no

The CAS Registry Mumber 29805-13-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,8,0 and 5 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 29805-13:
(7*2)+(6*9)+(5*8)+(4*0)+(3*5)+(2*1)+(1*3)=128
128 % 10 = 8
So 29805-13-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H6Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h1,3-5,9,12H

29805-13-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2,4-dichlorophenyl)prop-2-yn-1-ol

1.2 Other means of identification

Product number -
Other names -

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:29805-13-8 SDS

29805-13-8Relevant academic research and scientific papers

ANTIVIRAL COMPOUNDS

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Paragraph 0134, (2020/04/09)

The present invention relates to a compound of formula (I): to compositions comprising it and to their use in the prevention and/or treatment of viral infections, and in particular by a non-enveloped DNA virus and/or an enveloped RNA virus. The inventors found that the composed of formulae (I), (II) and (III), as defined herein, represent a novel class of antiviral agents with broad applicability against a wide spectrum of viruses.

Palladium-catalyzed [3+2] annulation of allenyl carbinol acetates with C,N-cyclic azomethine imines

Mao, Biming,Zhang, Junya,Xu, Yi,Yan, Zhengyang,Wang, Wei,Wu, Yongjun,Sun, Changqing,Zheng, Bing,Guo, Hongchao

supporting information, p. 12841 - 12844 (2019/11/05)

In this paper, a palladium-catalyzed [3+2] annulation of allenyl carbinol acetates with azomethine imines has successfully been developed under mild reaction conditions, affording biologically interesting tetrahydropyrazoloisoquinoline derivatives in high to excellent yields and with excellent stereoselectivity. The reaction follows a tandem [3+2] cycloaddition/allylation/elimination of AcOH pathway. Allenyl carbinol acetates also reacted well with in situ generated azomethine imine under cocatalysis of Ag(i)/Pd(0) catalysts in a similar reaction pathway.

NOVEL ANTIVIRAL COMPOUNDS

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Page/Page column 36, (2018/10/25)

The present invention relates to a compound of formula (I): for use in the prevention and/or treatment of viral infections, and in particular by a non- enveloped DNA virus and/or an enveloped RNA virus. The present invention also relates to compounds of formula (II): and to compositions comprising it. The inventors found that imidazole derivatives of formula (I) and (II), as defined herein, represent a novel class of antiviral agents with broad applicability against a wide spectrum of viruses.

INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM

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Paragraph 0226, (2019/01/11)

The present disclosure is generally directed to compositions useful in the inhibition of MetRS and methods for treating diseases that are ameliorated by the inhibition of MetRS.

Silver(I)-catalyzed reaction between pyrazole and propargyl acetates: Stereoselective synthesis of the scorpionate ligands (E)-allyl-gem-dipyrazoles (ADPs)

Bhanuchandra,Kuram, Malleswara Rao,Sahoo, Akhila K.

, p. 11824 - 11834 (2014/01/06)

The reaction between readily accessible pyrazole and propargyl acetates in the presence of Ag(I) catalyst yielded a new class of (E)-allyl-gem-dipyrazole scorpionate ligands: 1-aryl-2-N-pyrazolyl allyl acetates and 1,3-dipyrazolyl-3-arylpropene. The reaction showed broad substrate scope, and various functional and protecting groups were tolerated under the reaction conditions. The palladium(II) scorpionate complex could thus be easily prepared and successfully employed in Suzuki-Miyaura cross-couplings in water.

Gold-catalyzed regioselective hydration of propargyl acetates assisted by a neighboring carbonyl group: Access to α-acyloxy methyl ketones and synthesis of (±)-actinopolymorphol B

Ghosh, Nayan,Nayak, Sanatan,Sahoo, Akhila K.

, p. 500 - 511 (2011/04/17)

A general atom-economical approach for the synthesis of α-acyloxy methyl ketone is demonstrated through regioselective hydration of a wide range of propargyl acetates. Readily available catalyst comprising of 1% Ph 3PAuCl and 1% AgSbF6 in dioxane-H2O efficiently hydrolyzes the terminal alkynes of the propargyl acetate in the absence of acid promoters at ambient temperature within a short time. Effective regioselective hydration is facilitated by the neighboring carbonyl group as demonstrated through 18O-labeling study. Compatibility of functional moieties and tolerance to various acid-labile protecting groups are observed. The catalytic condition is also suitable to perform hydration of TMS-substituted propargyl acetates, even though it requires prolonged reaction time for completion. Stereointegrity of the propargylic acetate is preserved during the hydration. The robustness of the system is successfully demonstrated through gram scale preparation of the product in nearly quantitative yield. The common α-acyloxy methyl ketone is transformed to 1,2-diol and 1,2-amino alcohol derivatives. Synthesis of actinopolymorphol B is achieved for the first time involving hydration of the propargyl acetate as the key step.

Catalytic decarboxylation of 2-alkynoic acids

Kolarovic, Andrej,Faberova, Zuzana

experimental part, p. 7199 - 7202 (2009/12/09)

(Chemical Equation Presented) A very efficient protocol enabling catalytic decarboxylation of a wide range of 2-alkynoic acids is described. The reaction conditions and the scope of the process are examined. The method is further utilized in a model decar

Enantioselective copper-catalyzed propargylic amination

Detz, Remko J.,Delville, Marielle M. E.,Hiemstra, Henk,Van Maarseveen, Jan H.

, p. 3777 - 3780 (2008/12/23)

(Chemical Equation Presented) A proper copper catalyst with a chiral pyridine-2,6-bisoxazoline (pybox) ligand was used to convert a variety of propargylic acetates with aromatic side chains (R = Ar) into their amine counterparts in high yield and with good selectivity (up to 88% ee). The resulting chiral propargylic amines can be elaborated further into P,N ligands (see scheme; DIPEA = diisopropylethylamine).

INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME

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Page/Page column 59, (2008/12/08)

The present invention relates to compounds of formula (I): wherein R1, R2, and R3, are defined herein. Pharmaceutical compositions and methods for treating DGAT-1 related diseases or conditions are also disclosed.

Novozym-435-catalyzed enzymatic separation of racemic propargylic alcohols. A facile route to optically active terminal aryl propargylic alcohols

Xu, Daiwang,Li, Zuyi,Ma, Shengming

, p. 6343 - 6346 (2007/10/03)

Novozym-435 (a form of Candida antarctica lipase B) was found to be an effective biocatalyst for the kinetic resolution of a variety of racemic terminal aryl propargylic alcohols affording highly optically active (S)-propargylic alcohols and (R)-propargylic alcohol acetates in high yields and good ees. The advantages of this reaction are the easy availability of starting materials and the biocatalyst, simple reaction conditions, easy operation and high stereoselectivity.

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