6868-37-7

Basic information

• Product Name: 2-BENZIMIDAZOLCARBONITRILE
• Synonyms: 2-BENZIMIDAZOLCARBONITRILE;2-CYANOBENZIMIDAZOLE;1H-Benzimidazole-2-carbonitrile(9CI);1H-Benzimidazole-2-carbonitrile;1H-benzimidazole-2-carbonitrile(SALTDATA: FREE);1H-Benzoimidazole-2-carbonitrile;1H-benzo[d]imidazole-2-carbonitrile
• CAS NO: 6868-37-7
• Molecular Formula: C₈H₅N₃
• Molecular Weight: 143.15
• Product Categories: BENZIMIDAZOLE
• Mol File: 6868-37-7.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 347 °C at 760 mmHg
• Flash Point: 121.1 °C
• Appearance: /
• Density: 1.33 g/cm³
• Vapor Pressure: 5.55E-05mmHg at 25°C
• Refractive Index: 1.684
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: 2-BENZIMIDAZOLCARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BENZIMIDAZOLCARBONITRILE(6868-37-7)
• EPA Substance Registry System: 2-BENZIMIDAZOLCARBONITRILE(6868-37-7)

Safety Data

• Hazardous Substances Data: 6868-37-7(Hazardous Substances Data)

Usage

General Description

2-Benzimidazolcarbonitrile is a white to off-white crystalline solid that is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals. It is a heterocyclic compound containing both carbon and nitrogen atoms in its chemical structure. This chemical is also known for its fungicidal and insecticidal properties, making it a valuable ingredient in the development of crop protection products. 2-Benzimidazolcarbonitrile is also used as an intermediate in the production of dyes, pigments, and other specialty chemicals due to its versatility as a synthetic precursor.

InChI:InChI=1/C8H5N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,(H,10,11)

Upstream product

• 75318-43-3 4,5-dichloro-1,2,3-dithiazolium chloride 
• 95-54-5 1,2-diamino-benzene 
• 88-74-4 2-nitro-aniline 
• 3173-92-0 Benzimidazol-aldehyd-(2)-oxim 
• 3584-65-4 2-trichloromethyl-1H-benzoimidazole 
• 57097-49-1 2-cyano-benzimidazole-N-oxide 

Downstream Products

• 43102-21-2 2-(1H-tetrazol-5-yl)-1H-benzo[d]imidazole 
• 5805-57-2 2-Aminomethylbenzimidazole 
• 14483-74-0 C₈H₈N₄O 

Relevant articles and documents

Design, synthesis and biological evaluation of novel scaffold benzo[4,5]imidazo [1,2-a]pyrazin-1-amine: Towards adenosine A2A receptor (A2A AR) antagonist

Antagonists of adenosine receptor are under exploration as potential drug candidates for treatment of neurological disorders, depression, certain cancers and potentially used as a cancer immunotherapy. Herein, we describe design and synthesis of novel scaffold benzo[4,5]imidazo [1,2-a]pyrazin-1-amine (6) derivatives. All the compounds were evaluated for A2A AR antagonist activity and displayed encouraging results (IC50 9–300 nM) of A2A AR antagonist binding affinity in biochemical assay. Compound 27 exhibits good activity in A2A AR antagonist cAMP functional assay (IC50 31 nM) and further this compound shows T-cell activation at the IL-2 production assay (EC50 165 nM). Molecular docking studies were carried out to rationalize the observed binding affinity of compound 27.

3-benzo[4,5]imidazo[1,2-a]pyrazin-1-amine compounds as well as preparation method and application thereof

The invention discloses 3-benzo[4,5]imidazo[1,2-a]pyrazin-1-amine compounds as well as a preparation method and application thereof. The general structure of the compounds is shown as a formula (I). The compounds disclosed by the invention have good inhibitory activity on an adenosine A2A receptor, and in particular, IC50 values of the compounds 1-3, compounds 7-11, compounds 13-15, and compounds18, 23, 25, 26, 29, 30 and 31 on the adenosine A2A receptor is 50 nM or below, and the IC50 values of the compounds 14, 23, 25, 30 and 31 is 10.1 nM or below. The disclosed compounds show excellent inhibitory effect on adenosine A2A receptors, can be prepared into adenosine A2A receptor inhibitors to serve as potential immune antitumor drugs, and release the scavenging function of an immune systemon tumor cells by inhibiting the activity of the adenosine A2A receptor, thereby achieving the effect of treating tumors. Meanwhile, the compounds are simple in synthesis method, mild in condition, high in product yield and purity, capable of being industrially produced and prepared on a large scale and convenient to apply and popularize.

The synthesis of tetrazoles in nanometer aqueous micelles at room temperature

A newly developed nonionic amphiphile (GPGS-1500), a diester composed of a Guerbet alcohol (2-octyldodecan-1-ol), poly(ethylene glycol) 1500 (PEG 1500), and succinic acid esters, has been prepared as an effective nanomicelle-forming species for the synthesis of tetrazoles in water at room temperature. We have designed a new nonionic amphiphile (GPGS-1500) for the synthesis of tetrazoles in water at room temperature. The reaction conditions were optimized, and the size of the micelles formed by GPGS-1500 in water was measured by dynamic light scattering. Copyright