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Ethanone, 1-[1-(phenylmethyl)-1H-pyrrol-2-yl]-, is a chemical compound characterized by its molecular formula C14H13NO. It is a keto derivative of pyrrole, featuring a pyrrole ring with a ketone group attached to the carbon atom adjacent to the nitrogen atom. Ethanone, 1-[1-(phenylmethyl)-1H-pyrrol-2-yl]is classified as a ketone and is known for its potential applications in organic synthesis and pharmaceutical research due to its unique molecular structure.

100713-02-8

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100713-02-8 Usage

Uses

Used in Organic Synthesis:
Ethanone, 1-[1-(phenylmethyl)-1H-pyrrol-2-yl]is used as a key intermediate in organic synthesis for the production of various chemical compounds. Its unique structure allows for versatile reactions and transformations, making it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Ethanone, 1-[1-(phenylmethyl)-1H-pyrrol-2-yl]is utilized as a starting material or building block for the development of new drugs. Its potential pharmacological properties, stemming from its molecular structure, make it a promising candidate for the creation of novel therapeutic agents.
Used in Drug Development:
Ethanone, 1-[1-(phenylmethyl)-1H-pyrrol-2-yl]may exhibit pharmacological properties, which can be harnessed in the development of drugs targeting specific diseases or conditions. Further research is required to explore its full range of potential uses and properties, as well as to optimize its therapeutic efficacy and safety profile.

Check Digit Verification of cas no

The CAS Registry Mumber 100713-02-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,7,1 and 3 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 100713-02:
(8*1)+(7*0)+(6*0)+(5*7)+(4*1)+(3*3)+(2*0)+(1*2)=58
58 % 10 = 8
So 100713-02-8 is a valid CAS Registry Number.

100713-02-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(1-benzylpyrrol-2-yl)ethanone

1.2 Other means of identification

Product number -
Other names 2-Acetyl-1-benzyl-pyrrol

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:100713-02-8 SDS

100713-02-8Relevant academic research and scientific papers

Zinc-mediated acylation and sulfonation of pyrrole and its derivatives

Yadav,Reddy,Kondaji,Srinivasa Rao,Praveen Kumar

, p. 8133 - 8135 (2002)

Pyrrole and its derivatives react smoothly with acid chlorides and sulfonyl chlorides in the presence of zinc metal in toluene at ambient temperature to afford the corresponding 2-acetyl and 2-sulfonyl pyrrole derivatives in high yields with high regioselectivity.

Rapid access to 3-acyl indoles using ethyl acetate/triflic acid couple as the acylium donor and Cu(OAc)2catalysed aerial oxidation of indole benzoins

Talukdar, Ranadeep

supporting information, p. 8876 - 8880 (2020/11/23)

Esters are potential acyl donors but are relatively unexplored for that purpose. A facile installation of acyl groups at the C-3 position of indoles under triflic acid catalysed conditions with easily available and cheap esters as new acylating agents is described herein. Furthermore, heterocycles like N-protected pyrrole, furan and thiophene were also suitable substrates for similar C-2 acylation. Analogous C-3 benzoylated products of indole were obtained, albeit in lower yields, by using methyl benzoate as a benzoyl donor. The benzoylated products were synthesised in much better yields via a copper(ii) catalysed aerial oxidation of indole containing benzoins. This journal is

4-carbonyl-2-butene acid compound and use thereof

-

Paragraph 0052-0053, (2016/10/27)

The invention provides a 4-carbonyl-2-butene acid compound with good inhibition activity against PA_N. The compound has a general formula (I), wherein R1 represents C1-C4 alkyl, aryl, substituted aryl, heteroaryl, or substituted heteroaryl; and R2 represents hydroxy or substituted amino. The invention also relates to a medicine composition with the compound as an active component, and an application of the compound and the medicine composition provided by the invention in treating influenza.

Reactions of nitrilium salts with indole and pyrrole and their derivatives in the synthesis of imines, ketones and secondary amines

Giles, Robert G.,Heaney, Harry,Plater, M. John

, p. 7367 - 7385 (2015/08/24)

Abstract Reactions of N-methyl- and N-ethyl-nitrilium salts with indole and pyrrole and their derivatives yield imines or imine salts in good yields. The related imines are obtained from the salts after careful basification and hydrolysis of the imine salts or the imines by heating with aqueous base give the related ketones in good yields. Alternatively, the imine salts can be reduced using sodium borohydride in methanol to give the related secondary amines.

Selective rhodium(III)-catalyzed cross-dehydrogenative coupling of furan and thiophene derivatives

Kuhl, Nadine,Hopkinson, Matthew N.,Glorius, Frank

supporting information; experimental part, p. 8230 - 8234 (2012/09/08)

A hot couple: An unprecedented rhodium(III)-catalyzed cross-dehydrogenative coupling (CDC) of various furan and thiophene derivatives leads to valuable 2,2'-bi(heteroaryl) products in good yields and selectivities (see scheme). In addition, pyrroles and indoles can also be used as coupling partners, giving C3-arylated products. Copyright

Flash vacuum pyrolysis of 2,2-dioxo-1H,3H-pyrrolo[1,2-c]thiazoles and 2-vinyl-1H-pyrroles

Soares, Maria I.L.,Lopes, Susana M.M.,Cruz, Pedro F.,Brito, Rui M.M.,Pinho e Melo, Teresa M.V.D.

, p. 9745 - 9753 (2008/12/22)

The flash vacuum pyrolysis of new 1,1-dimethyl- and 1-methyl-1H,3H-pyrrolo[1,2-c]thiazole-2,2-dioxides gave penta-substituted 2-vinyl-1H-pyrroles via sigmatropic [1,8]-H shift of the corresponding azafulvenium methide intermediates. In some cases these 1H-pyrroles underwent rearrangement to 2-allyl-1H-pyrroles. Di-substituted 2-vinylpyrroles have also been prepared and their reactivity studied. Under FVP N-benzyl-pyrrol-2-ylpropenoates were converted into 3H-pyrrolizin-3-ones. On the other hand, microwave-assisted reaction of 1-benzyl-2-vinyl-1H-pyrrole gave a 4,5,6,7-tetrahydro-1H-indole derivative.

Oxidative radical cyclization to pyrroles under reducing conditions. Reductive desulfonylation of α-sulfonylpyrroles with tri-n-butyltin hydride

Antonio, Yulia,Cruz, Ma. Elizabeth De La,Galeazzi, Edvige,Guzman, Angel,Bray, Brian L.,et al.

, p. 15 - 22 (2007/10/02)

1-(2-Bromobenzyl)-2-alkanesulfonylpyrroles (1c, 1d) and 1-(4-bromobutyl)-2-methylsulfonylpyrrols (8) undergo oxidative radical cyclization with partial or complete reductive desulfonylation to the pyrrolizidine derivatives 5 and 9 by an AIBN initiated reaction with tri-n-butyltin hydride.These cyclizations are suggested to proceed via a pseudo SRN1 process involving radical addition to the α position of the pyrrole nucleus not bearing the sulfonyl group.Reductive removal of the alkylsulfonyl moiety is proposed to occur in a second process after completion of the oxidative radical cyclization.The site of the radical addition is supported by deuterium labelling studies.Consistent with the timing of the loss of the sulfonyl group is that 2-alkylsulfonylpyrroles 11 are reductively desulfonylated under the same conditions that effect the oxidative radical cyclizations.

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