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1-(2-Propynyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole is a chemical compound with the molecular formula C11H7F3N2. It is a benzimidazole derivative featuring a propynyl group and a trifluoromethyl group attached to the benzene ring. 1-(2-PROPYNYL)-2-(TRIFLUOROMETHYL)-1H-1,3-BENZIMIDAZOLE holds potential pharmaceutical applications due to the diverse biological activities associated with benzimidazole derivatives, which include antimicrobial, antifungal, anticancer, and anti-inflammatory properties. The trifluoromethyl group enhances its utility in medicinal chemistry by modulating the compound's physicochemical, pharmacokinetic, and pharmacodynamic properties. Further research is necessary to fully understand its potential as a drug candidate.

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  • 139591-04-1 Structure
  • Basic information

    1. Product Name: 1-(2-PROPYNYL)-2-(TRIFLUOROMETHYL)-1H-1,3-BENZIMIDAZOLE
    2. Synonyms: 1-(2-PROPYNYL)-2-(TRIFLUOROMETHYL)-1H-1,3-BENZIMIDAZOLE
    3. CAS NO:139591-04-1
    4. Molecular Formula: C11H7F3N2
    5. Molecular Weight: 224.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 139591-04-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(2-PROPYNYL)-2-(TRIFLUOROMETHYL)-1H-1,3-BENZIMIDAZOLE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(2-PROPYNYL)-2-(TRIFLUOROMETHYL)-1H-1,3-BENZIMIDAZOLE(139591-04-1)
    11. EPA Substance Registry System: 1-(2-PROPYNYL)-2-(TRIFLUOROMETHYL)-1H-1,3-BENZIMIDAZOLE(139591-04-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 139591-04-1(Hazardous Substances Data)

139591-04-1 Usage

Uses

Used in Pharmaceutical Industry:
1-(2-Propynyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole is used as a potential drug candidate for its diverse biological activities, including antimicrobial, antifungal, anticancer, and anti-inflammatory properties. The presence of the trifluoromethyl group allows for the modulation of the compound's properties, making it a valuable asset in the development of new medications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 1-(2-Propynyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole is utilized for its ability to modulate the physicochemical, pharmacokinetic, and pharmacodynamic properties of drugs. This feature makes it a promising compound for the design and synthesis of novel therapeutic agents.
Further research and studies are required to explore the full potential of 1-(2-Propynyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole in various applications and industries.

Check Digit Verification of cas no

The CAS Registry Mumber 139591-04-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,9,5,9 and 1 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 139591-04:
(8*1)+(7*3)+(6*9)+(5*5)+(4*9)+(3*1)+(2*0)+(1*4)=151
151 % 10 = 1
So 139591-04-1 is a valid CAS Registry Number.

139591-04-1Downstream Products

139591-04-1Relevant articles and documents

A [...] benzimidazole compound and use thereof

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Paragraph 0030; 0031; 0032, (2017/08/24)

The invention discloses a benzimidazole compound containing oxadiazole and application of the compound. The benzimidazole compound containing the oxadiazole is 1-[3-R-isoxazole-5-methylene]-2-trifluoromethyl-1H-benzimidazole[d] expressed by a formula (1) which is as shown in the specification, wherein R refers to substituted phenyl or 2-(3-methylthiophene); the substituted phenyl comprises one or more substituent groups, and each substituent group is independently selected from halogens, C1-C4 alkyls, C1-C4 alkoxyl groups, trifluoromethyl and bis(C1-C2 alkyl) substituted amino groups. The 1-[3-R-isoxazole-5-methylene]-2-trifluoromethyl-1H-benzimidazole[d] can be applied to preparing antibacterial agents. The 1-[3-R-isoxazole-5-methylene]-2-trifluoromethyl-1H-benzimidazole[d] has an inhibition effect on a plurality of bacteria (bacillus subtilis, escherichia coli, staphylococcus aureus and aspergillus fumigatus; the synthesis process of the compound is simple and prone to industrialization.

A containing 1, 2, 3-triazole benzimidazole compound and use thereof

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Paragraph 0028; 0029; 0030, (2016/10/10)

The invention discloses a benzimidazole compound containing 1,2,3-triazole and an application thereof. The benzimidazole compound containing 1,2,3-triazole is 1-((1-R-1H-1,2,3-triazole-4yl)methyl)-2-(trifluoromethyl)-1H-benzimidazole[d] shown as the formula (I), wherein R substituent is benzyl, o-chlorobenzyl, C1-C12 alkyl or -R1COOR2; R1 is selected from straight chain or branched chain C1-C4 alkylene; and R2 is selected from straight chain or branched chain C1-C4 alkyl. The benzimidazole compound containing 1,2,3-triazole can be used for preparing an antibacterial agent; 1-((1-R-1H-1,2,3-triazole-4yl)methyl)-2-(trifluoromethyl)-1H-benzimidazole[d] has an inhabitation effect on a plurality of thallus bacteria, namely bacillus subtilis, escherichia coli, staphylococcus aureus and aspergillus fumigatus; the synthetic process is simple; and the industrialization is liable to implement.

Organostannyl mediated synthesis of 1-alkyl- and 1-sulfonyl-2-trifluoromethylbenzimidazole derivatives

Narayanan, N.,Balasubramanian, T. R.

, p. 361 - 366 (2007/10/02)

The synthesis and characteristics of a new series of 1-alkyl and 1-sulfonyl derivatives of 2-trifluoromethylbenzimidazole through an organostannyl intermediate is described.

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