56029-45-9

Basic information

• Product Name: 6-tert-butylnicotinonitrile
• Synonyms: 6-tert-butylnicotinonitrile;6-(1,1-dimethylethyl)-3-Pyridinecarbonitrile;6-tert-butylpyridine-3-carbonitrile
• CAS NO: 56029-45-9
• Molecular Formula: C₁₀H₁₂N₂
• Molecular Weight: 160.21568
• Mol File: 56029-45-9.mol

Chemical Properties

• Boiling Point: 247.1±28.0 °C(Predicted)
• Appearance: /
• Density: 1.00±0.1 g/cm3(Predicted)
• PKA: 2.28±0.10(Predicted)
• CAS DataBase Reference: 6-tert-butylnicotinonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 6-tert-butylnicotinonitrile(56029-45-9)
• EPA Substance Registry System: 6-tert-butylnicotinonitrile(56029-45-9)

Safety Data

• Hazardous Substances Data: 56029-45-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
6-tert-butylnicotinonitrile is used as a key building block in the synthesis of various pharmaceuticals, leveraging its unique chemical structure to contribute to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 6-TBN serves as an essential intermediate in the production of agrochemicals, playing a crucial role in the synthesis of compounds that help protect crops and enhance agricultural productivity.
Used in Materials Science:
6-tert-butylnicotinonitrile is utilized in materials science for the production of polymers and resins, where its chemical properties and reactivity contribute to the creation of innovative materials with specific properties for various applications.
It is important to handle 6-TBN with care due to its toxic nature and potential to cause irritation upon contact with skin or eyes, ensuring safety measures are in place during its use and manipulation in different industries.

Upstream product

• 100-54-9 pyridine-3-carbonitrile 
• 677-22-5 tert-butylmagnesium chloride 
• 139585-70-9 2-bromo-5-cyanopyridine 
• 75-98-9 Trimethylacetic acid 
• 594-19-4 tert.-butyl lithium 

Downstream Products

• 124800-33-5 (6-tert-butylpyridin-3-yl)methanamine 
• 832715-99-8 6-(tert-butyl)nicotinic acid 

Relevant articles and documents

Organic bifunctional catalyst and preparation method thereof as well as stereoregular biodegradable polyester and preparation method thereof

The invention relates to an organic bifunctional catalyst and a preparation method thereof, and stereoregular biodegradable polyester and a preparation method thereof. The organic bifunctional catalyst disclosed by the invention is obtained by reacting isocyanate or isothiocyanate with a pyridylamine compound. According to the catalyst, an O-carboxyl intracyclic anhydride monomer and a pyridine nucleophilic addition monomer of an amino acid source are activated by thiourea, and controllable ring opening polymerization can be performed on an OCA monomer under a mild condition by utilizing an amplification effect of adjacent groups, so that functional polyester with high isotacticity and controllable molecular weight is prepared. The solvent used for polymerization can be chloroform, toluene, dichloromethane and the like, the polymerization temperature range is 25-50 DEG C, and the stereoregularity is adjustable between 60% and 90%. Under the polymerization condition, the monomer conversion rate can reach 99% within 24-48 hours. The molecular weight of the obtained polyester is controllable, and the melting point reaches up to 150 DEG C. The molecular weight of the polyester is changed between 20,000 and 100,000, and the polyester has a wide prospect for industrial application.

Synergetic Organocatalysis for Eliminating Epimerization in Ring-Opening Polymerizations Enables Synthesis of Stereoregular Isotactic Polyester

Ring-opening polymerization of O-carboxyanhydrides (OCAs) can furnish polyesters with a diversity of functional groups that are traditionally hard to harvest by polymerization of lactones. Typical ring-opening catalysts are subject to unavoidable racemization of most OCA monomers, which hampers the synthesis of highly isotactic crystalline polymers. Here, we describe an effective bifunctional single-molecule organocatalysis for selective ring-opening polymerization of OCAs without epimerization. The close vicinity of both activating groups in the same molecule engenders an amplified synergetic effect and thus allows for the use of mild bases, thereby leading to minimal epimerization for polymerization. Ring-opening polymerization of manOCA monomer (OCA from mandelic acid) mediated by the bifunctional single-molecule organocatalyst yields highly isotactic poly(mandelic acid) (PMA) with controlled molecular weights (up to 19.8 kg mol-1). Mixing of the two enantiomers of PMA generates the first example of a crystalline stereocomplex in this area, which displayed distinct Tm values around 150 °C. Remarkably, the bifunctional catalysts are moisture-stable, recyclable, and easy to use, allowing sustainable and scalable synthesis of a stereoregular functional polyester.

Metal-free C-H alkylation of heteroarenes with alkyltrifluoroborates: A general protocol for 1°, 2° and 3° alkylation

A photoredox-catalyzed C-H functionalization of heteroarenes using a variety of primary, secondary, and tertiary alkyltrifluoroborates is reported. Using Fukuzumi's organophotocatalyst and a mild oxidant, conditions amenable for functionalizing complex heteroaromatics are described, providing a valuable tool for late-stage derivatization. The reported method addresses the three major limitations of previously reported photoredox-mediated Minisci reactions: (1) use of superstoichiometric amounts of a radical precursor, (2) capricious regioselectivity, and (3) incorporation of expensive photocatalysts. Additionally, a number of unprecedented, complex alkyl radicals are used, thereby increasing the chemical space accessible to Minisci chemistry. To showcase the application in late-stage functionalization, quinine and camptothecin analogues were synthesized. Finally, NMR studies were conducted to provide a rationalization for the heteroaryl activation that permits the use of a single equivalent of radical precursor and also leads to enhanced regioselectivity. Thus, by 1H and 13C NMR a distinct heteroaryl species was observed in the presence of acid catalyst and BF3.

NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND

There are provided compounds represented by the following general formula (I) or pharmaceutically acceptable salts of thereof, which have a superior monoacylglycerol acyltransferase 2 inhibitory action: wherein Ring A represents a partially saturated heteroaryl group, an aryl group or a heteroaryl group, RB represents a C4-18 alkyl group, a C3-8 cycloalkyl group, a partially saturated aryl group, an aryl group, or the following formula (II): wherein V represents the formula -CR11R12-, -CO-, -CO-O-, or -CO-NH-, W represents a single bond or a C1-3 alkylene group, and Ring B represents a C3-8 cycloalkyl group, a C3-8 cycloalkenyl group, a partially saturated heteroaryl group, a saturated heterocyclyl group, an aryl group, or a heteroaryl group, Y represents a nitrogen atom or the formula N+(RF), RF represents a C1-4 alkyl group, and m and n, which may be the same or different, each represent an integer of 0 or 1.

NEW COMPOUNDS III

The present invention relates to new compounds [Chemical formula should be inserted here. Please see paper copy] (I) or salts, solvates or solvated salts thereof, processes for their preparation and to new intermediates used in the preparation thereof, ph

FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO

The present invention relates to certain fused aryl and heteroaryl derivatives of Formula (I) that are modulators of metabolism. Accordingly, compounds of the present invention are useful in the prophylaxis or treatment of metabolic disorders and complica