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N-(4-bromophenyl)-4-(2-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide is a complex organic compound with a molecular formula of C18H14BrFN3OS. It is a derivative of pyrimidine, a heterocyclic aromatic organic compound consisting of a six-membered ring, with four carbon atoms and two nitrogen atoms. This specific compound features a 4-bromophenyl group, a 2-fluorophenyl group, and a 6-methyl group attached to the pyrimidine core. The 2-thioxo group indicates the presence of a sulfur atom double-bonded to an oxygen atom, and the compound also contains a carboxamide functional group. This chemical is primarily used in the field of medicinal chemistry, particularly in the development of potential therapeutic agents targeting various diseases and disorders. Its unique structure and functional groups make it an interesting candidate for further research and development in drug discovery.

5755-78-2

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5755-78-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5755-78-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,5 and 5 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5755-78:
(6*5)+(5*7)+(4*5)+(3*5)+(2*7)+(1*8)=122
122 % 10 = 2
So 5755-78-2 is a valid CAS Registry Number.

5755-78-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(4-bromophenyl)-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

1.2 Other means of identification

Product number -
Other names F1011-1319

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:5755-78-2 SDS

5755-78-2Relevant academic research and scientific papers

Base-Mediated Radical Borylation of Alkyl Sulfones

Huang, Mingming,Hu, Jiefeng,Krummenacher, Ivo,Friedrich, Alexandra,Braunschweig, Holger,Westcott, Stephen A.,Radius, Udo,Marder, Todd B.

supporting information, (2021/12/02)

A practical and direct method was developed for the production of versatile alkyl boronate esters via transition metal-free borylation of primary and secondary alkyl sulfones. The key to the success of the strategy is the use of bis(neopentyl glycolato) diboron (B2neop2), with a stoichiometric amount of base as a promoter. The practicality and industrial potential of this protocol are highlighted by its wide functional group tolerance, the late-stage modification of complex compounds, no need for further transesterification, and operational simplicity. Radical clock, radical trap experiments, and EPR studies were conducted which show that the borylation process involves radical intermediates.

Quaternary Ammonium Trifluoromethoxide Salts as Stable Sources of Nucleophilic OCF3

Britton, Robert,Friesen, Chadron M.,Jelier, Benson J.,Martin, Rainer E.,Meanwell, Michael,Newton, Josiah J.

supporting information, p. 1785 - 1790 (2020/03/24)

The reaction of nucleophilic tertiary amines with trifluoromethyl and pentafluoroethyl methyl ethers provides quaternary ammonium trifluoromethoxide (NR4OCF3) and pentafluoroethoxide (NR4OCF2CF3) salts, respectively, in good yields. The new trifluoromethoxide salts disclosed herein are uniquely stable for extended periods of time in both the solid state and in solution, which complements contemporary reagents. Here we describe the preparation of a range of NR4OCF3 salts, their long-term stability, and utility in substitution reactions.

Development of an enantioselective route toward the lycopodium alkaloids: Total synthesis of lycopodine

Yang, Hua,Carter, Rich G.

supporting information; experimental part, p. 4929 - 4938 (2010/10/21)

(Figure presented) Synthesis of a C15-desmethyl tricycle core of lycopodine has been accomplished. Key steps in the synthetic sequence include organocatalytic, intramolecular Michael addition of a keto sulfone and a tandem 1,3-sulfonyl shift/Mannich cyclization to construct the tricyclic core ring system. Synthetic work toward this natural product family led to the development of N-(p-dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide, an organocatalyst which facilitiates enantioselective, intramolecular Michael additions. A detailed mechanistic discussion is provided for both the intramolecular Michael addition and the sulfone rearrangement. Finally, the application of these discoveries to the enantioselective total synthesis of alkaloid lycopodine is described.

Enantioselective total synthesis of lycopodine

Yang, Hua,Carter, Rich G.,Zakharov, Lev N.

supporting information; experimental part, p. 9238 - 9239 (2009/02/03)

The first enantioselective total synthesis of lycopodine has been completed. Key steps include a highly diastereoselective organocatalyzed cyclization of a keto sulfone to establish the key C7 and C8 stereocenters and a tandem 1,3-su

Synthesis of substituted tetrahydropyrans via intermolecular reactions of δ-halocarbanions with aldehydes

Barbasiewicz, Michal,Brud, Aneta,Majcosza, Mieczyslaw

, p. 1209 - 1213 (2008/02/02)

Intramolecular substitution in δ-halocarbanions leading to cyclobutanes is a relatively slow process, thus they readily add to carbonyl groups; the thus-produced anionic adducts cyclize to tetrahydropyran derivatives. A simple mechanistic discussion, opti

Sulfone derivatives as 5-HT7 receptor ligands

-

Page/Page column 7, (2010/02/09)

The present invention relates to sulfone derivatives of formula (I): Ar—SO2—CR2R3-L-N(R1)2??I wherein Ar, L, R1, R2 and R3 are as defined herein, and pharmaceutically

A new stereoselective synthesis of (±)-grandisol based on the remote alkylation protocol

Monteiro, Hugo J.,Stefani, Helio A.

, p. 2659 - 2663 (2007/10/03)

A new stereoselective synthesis of (±)-grandisol (1a) has been developed. The synthesis starts with a simple cyclobutyl derivative to which the methyl group and the 1,2-cis disposed side chains were appended through a remote alkylation protocol.

γ- and δ-epoxy sulfones. Formation of different ring-sized products upon reaction with CH3MgI or LiN2

Decesare, John M.,Corbel, Bernard,Durst, Tony,Blount, John F.

, p. 1415 - 1424 (2007/10/02)

γ-Epoxy sulfones in which the epoxide function is terminal yield cyclopropylmethanol derivatives on reaction with methylithium or lithium diisopropylamide.In contrast, treatment of these epoxides with two equivalents of CH3MgI gives only cis-3-phenylsulfonylcyclobutanols.The cis-relationship between the OH and sulfonyl groups was proven in one instance by an X-ray stucture determination.Inernal γ-epoxy sulfones yield cyclopropylmethanols with all bases studied.All δ-epoxy sulfones studied furnished cis-3-phenylsulfonylcyclopentanols upon reaction with the Grignard reagent.These same epoxides gave either cyclopentanols or noncyclic products upon reaction with LDA; no cyclobutane ring containing products were obtained contrary to the expectations based on Stork's results with the corresponding epoxy nitriles (ref. 2).The mechanism of the Grignard-mediated reaction involves epoxide opening by iodide ion, α-sulfonyl Grignard formation, and, finally, cyclization.When LDA or CH3Li is used the products are formed by an intramolecular SN2 opening of the epoxide by an α-lithio sulfone.

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