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1H-Benzimidazole, 2-(2-methylpropyl)-(9CI), also known as 2-isobutyl-1H-benzimidazole, is an organic compound with the molecular formula C11H14N2. It is a white crystalline solid that is soluble in organic solvents. This chemical is a derivative of benzimidazole, a heterocyclic aromatic organic compound consisting of a benzene ring fused to an imidazole ring. The 2-isobutyl substitution on the benzimidazole core provides unique chemical and physical properties, making it a valuable building block in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its applications span across different industries, including the development of new drugs, the creation of novel materials, and the formulation of advanced chemical compounds.

5851-45-6

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5851-45-6 Usage

Structure

Benzimidazole derivative with a 2-(2-methylpropyl) substituent

Usage

Commonly used in the pharmaceutical industry for the synthesis of various drugs and pharmaceutical products

Pharmacological activities

Antiviral, antifungal, and antimicrobial properties

Potential use

As anti-cancer agents

Importance

An important chemical compound with various potential medical applications

Check Digit Verification of cas no

The CAS Registry Mumber 5851-45-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,5 and 1 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5851-45:
(6*5)+(5*8)+(4*5)+(3*1)+(2*4)+(1*5)=106
106 % 10 = 6
So 5851-45-6 is a valid CAS Registry Number.

5851-45-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-methylpropyl)-1H-benzimidazole

1.2 Other means of identification

Product number -
Other names 2-Isobutyl-benzimidazol

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:5851-45-6 SDS

5851-45-6Relevant academic research and scientific papers

Metal-free selective synthesis of 2-substituted benzimidazoles catalyzed by Br?nsted acidic ionic liquid: Convenient access to one-pot synthesis of N-alkylated 1,2-disubstituted benzimidazoles

Senapak, Warapong,Saeeng, Rungnapha,Jaratjaroonphong, Jaray,Promarak, Vinich,Sirion, Uthaiwan

, p. 3543 - 3552 (2019/05/29)

A novel efficient method for the selective synthesis of 2-substituted benzimidazoles is described through condensation reaction of o-phenylenediamines with a wide rang of aliphatic, aromatic and heteroaromatic aldehyde substrates using Br?nsted acidic ionic liquid as a reusable catalyst under metal-free conditions at ambient temperature. Notably, Dodecylimidazolium hydrogen sulfate ([DodecIm][HSO4]) is the most efficient catalyst for good to excellent yields of the corresponding products (up to 98%). Subsequently, this protocol was successfully applied for the preparation of N-alkylated 1,2-disubstituted benzimidazoles in high to excellent yields via sequential one-pot reaction. In addition, catalysts are recycled at least four times without significant loss in activity.

Studies on the synthesis, characterization, cytotoxic activities and plasmid DNA binding of platinum(II) complexes having 2-subsituted benzimidazole ligands

Gozelle, Mahmut,Sülo?lu, Aysun K?l??,Selmano?lu, Güldeniz,Ramazano?lu, Nagehan,A??k, Leyla,Gümü?, Fatma

, p. 298 - 308 (2019/02/06)

The aim of this study was to synthesize and evaluate the cytotoxic activities and plasmid DNA interaction of some new platinum(II) complexes, which may have potent cytotoxic activity and low side effects, with benzimidazole derivatives containing some amino acid residues as substituents in their 2 position. Seven 2-subtituted benzimidazole derivatives (1–7) (2-(H, methyl isopropyl, isobutyl, sec-butyl 1H-imidazol-4-ylmethyl or 4-hydroxybenzyl)benzimidazole, respectively), seven platinum(II) complexes with two chlorido leaving groups (1a–7a) and six platinum(II) complexes with an oxalato leaving group (2b–7b) bearing the benzimidazole carrier ligand were synthesized. The chemical structures of the compounds were characterized by their elemental analysis, IR, 1H NMR, and HRMS spectra. The compounds were evaluated for their cytotoxic activities against human HeLa cervical cancer cell lines. The interaction of all the ligands and their complexes with plasmid DNA and their restriction endonuclease reactions with BamHI and HindIII enzymes were investigated by agarose gel electrophoresis. Compounds 1a, 3a, 3b, 6, 7a and 7b, having 2-(H, isopropyl, 1H-imidazol-4-ylmethyl or 4-hydroxybenzyl)benzimidazole carrier ligands, have moderate in vitro cytotoxic activity, close to that of carboplatin.

An efficient NaHSO3-promoted protocol for chemoselective synthesis of 2-substituted benzimidazoles in water

Jiang, Yu-Qin,Jia, Shu-Hong,Li, Xi-Yong,Sun, Ya-Min,Li, Wei,Zhang, Wei-Wei,Xu, Gui-Qing

, p. 1265 - 1276 (2019/01/28)

An efficient protocol for chemoselective synthesis of 2-substituted benzimidazoles from a variety of aliphatic/aromatic/ heteroaryl aldehydes and o-phenylenediamine derivatives promoted by NaHSO3 in water had been developed. The amount of NaHSO3 had a great effect on the reaction selectivity of 2-substituted benzimidazole and 1,2-disubstituted benzimidazole when the reaction was carried out in water. When the amount of the NaHSO3 was more than 11 equivalents, the 2-substituted benzimidazole could be highly selectively formed as the sole product. NaHSO3 was firstly reacted with aldehyde to form the aldehyde sodium bisulfite, which reacted with o-phenylenediamine to form the 2-substituted benzimidazole and inhibited the formation of 1,2-disubstituted benzimidazole. This protocol solved the poor selectivity problem appearing in traditional method when cyclocondensation between o-phenylenediamine and aldehydes. The method also had advantage of simple work up by filtrating the single 2-substituted benzimidazole precipitates from reaction mixture at the end of the reaction without further purification. In addition, the method was applicable to both electron-rich and electron-poor starting materials, which was successfully used for synthesizing nine novel 2-substituted benzimidazole derivatives containing a 1,2,3-triazole moiety. They were characterized by NMR, IR and HRMS spectrum. Moreover, this method had been applied to a large scale synthesis of 2-substituted benzimidazole derivatives.

Direct Synthesis of Benzimidazoles by Dehydrogenative Coupling of Aromatic Diamines and Alcohols Catalyzed by Cobalt

Daw, Prosenjit,Ben-David, Yehoshoa,Milstein, David

, p. 7456 - 7460 (2017/11/10)

Herein, we present the base-metal-catalyzed dehydrogenative coupling of primary alcohols and aromatic diamines to selectively form functionalized 2-substituted benzimidazoles, liberating water and hydrogen gas as the sole byproducts. The reaction is catalyzed by pincer complexes of Earth-abundant cobalt under base-free conditions.

Decarboxylative Coupling of α-Keto Acids with ortho-Phenylenediamines Promoted by an Electrochemical Method in Aqueous Media

Wang, Hai-Bin,Huang, Jing-Mei

supporting information, p. 1975 - 1981 (2016/07/06)

An electrochemical method for the decarboxylative coupling of α-keto acids with ortho-phenylenediamines was developed. The reaction proceeded smoothly in aqueous solution under air and metal catalyst-free conditions to afford 2-substituted benzimidazoles in good yields. Benzothiazoles could also be synthesized by this protocol. (Figure presented.) .

Efficient and versatile catalysis of N-alkylation of heterocyclic amines with alcohols and one-pot synthesis of 2-aryl substituted benzazoles with newly designed ruthenium(ii) complexes of PNS thiosemicarbazones

Ramachandran, Rangasamy,Prakash, Govindan,Selvamurugan, Sellappan,Viswanathamurthi, Periasamy,Malecki, Jan Grzegorz,Ramkumar, Venkatachalam

supporting information, p. 7889 - 7902 (2014/05/20)

Ruthenium(ii) carbonyl complexes with phosphine-functionalized PNS type thiosemicarbazone ligands [RuCl(CO)(EPh3)(L)] (1-6) (E = P or As, L = 2-(2-(diphenylphosphino)benzylidene) thiosemicarbazone (PNS-H), 2-(2-(diphenylphosphino)benzylidene)-N-methylthiosemicarbazone (PNS-Me), 2-(2-(diphenylphosphino)benzylidene)-N-phenylthiosemicarbazone (PNS-Ph)) have been synthesized and characterized by elemental analysis and spectroscopy (IR, UV-Vis, 1H, 13C, 31P-NMR) as well as ESI mass spectrometry. The molecular structures of complexes 1, 2 and 6 were identified by means of single-crystal X-ray diffraction analysis. The analysis revealed that all the complexes possess a distorted octahedral geometry with the ligand coordinating in a uni-negative tridentate PNS fashion. All the ruthenium complexes (1-6) were tested as catalyst for N-alkylation of heteroaromatic amines with alcohols. Notably, complex 2 was found to be a very efficient and versatile catalyst towards N-alkylation of a wide range of heterocyclic amines with alcohols. Complex 2 can also catalyze the direct amination of 2-nitropyridine with benzyl alcohol to the corresponding secondary amine. Furthermore, a preliminary examination of performance for N,N-dialkylation of diamine showed promising results, giving good conversion and high selectivity. In addition, N-alkylation of ortho-substituted anilines (-NH2, -OH and -SH) led to the one-pot synthesis of 2-aryl substituted benzimidazoles, benzoxazoles and benzothiazoles, also revealing the catalytic activity of complex 2. This journal is the Partner Organisations 2014.

Iron phthalocyanine as an efficient and versatile catalyst for N-alkylation of heterocyclic amines with alcohols: One-pot synthesis of 2-substituted benzimidazoles, benzothiazoles and benzoxazoles

Bala, Manju,Verma, Praveen Kumar,Sharma, Upendra,Kumar, Neeraj,Singh, Bikram

supporting information, p. 1687 - 1693 (2013/09/24)

An efficient and versatile iron phthalocyanine catalyzed method has been developed for N-alkylation of various amines with alcohols. Readily available alcohols were used as alkylating agents for direct N-alkylation of aminobenzothiazoles, aminopyridines and aminopyrimidines. N-Alkylation of ortho-substituted anilines (-NH2, -SH and -OH) led to the synthesis of 2-substituted benzimidazoles, benzothiazoles and benzoxazoles in one pot.

Combined Pd/C and montmorillonite catalysis for one-pot synthesis of benzimidazoles

Weires, Nicholas A.,Boster, Jared,Magolan, Jakob

supporting information, p. 6508 - 6512 (2013/01/15)

A series of nineteen benzimidazoles were prepared from ortho-nitroanilines by one-pot transfer hydrogenation, condensation, and dehydrogenation enabled by the concurrent use of two heterogeneous catalysts: montmorillonite-K10 and Pd/C. This strategy was further employed to accomplish a five-step, three-component synthesis of an antifungal benzimidazoquinazoline by using a simple one-pot procedure.

Synthesis of benzimidazoles by PIDA-promoted direct C(sp2)-H imidation of N-arylamidines

Huang, Jinbo,He, Yimiao,Wang, Yong,Zhu, Qiang

, p. 13964 - 13967 (2013/01/15)

A metal-free synthesis of diversified benzimidazoles from N-arylamidines through a phenyliodine(III) diacetate (PIDA) promoted intramolecular direct C(sp2)-H imidation has been developed. The reaction proceeds smoothly at 0 °C or ambient temperature to provide the desired products in good to excellent yields. The synthesis of 2-alkyl- or 2-alkyl-fused benzimidazoles, which are generally inaccessible by similar Pd- or Cu-catalyzed approaches, can also be achieved. Copyright

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