4210-32-6

Basic information

• Product Name: 4-tert-Butylbenzonitrile
• Synonyms: Benzonitrile, 4-(1,1-dimethylethyl)-;Benzonitrile, p-tert-butyl-;P-TERT-BUTYLBENZONITRILE;P-T-BUTYLBENZONITRILE;4-TERT-BUTYLBENZONITRILE;4-TERT-BUTYLCYANOBENZENE;4-tert-Butylbenzonitrile 97%;4-tert-Butylbenzonitrile, 98+%
• CAS NO: 4210-32-6
• Molecular Formula: C₁₁H₁₃N
• Molecular Weight: 159.23
• EINECS: 224-137-2
• Product Categories: Aromatic Nitriles;C10 to C27;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 4210-32-6.mol
• Article Data: 140

Chemical Properties

• Melting Point: 12-14 °C
• Boiling Point: 258 °C(lit.)
• Flash Point: >230 °F
• Appearance: clear colorless liquid
• Density: 0.94 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0285mmHg at 25°C
• Refractive Index: n20/D 1.518(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2080049
• CAS DataBase Reference: 4-tert-Butylbenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-Butylbenzonitrile(4210-32-6)
• EPA Substance Registry System: 4-tert-Butylbenzonitrile(4210-32-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22
• Safety Statements: 36-36/37
• RIDADR: 3276
• WGK Germany: 2
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 4210-32-6(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

Uses

4-tert-Butylbenzonitrile may be used to synthesize 3-bromo-4′-tert-butylbenzophenone.

General Description

4-tert-Butylbenzonitrile can be prepared from 4-tert-butyl-1,2-dihydrobenzene, via dehydrogenation.

InChI:InChI=1/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3

Upstream product

• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 67-56-1 methanol 
• 5396-38-3 1-(tert-butyl)-4-methoxybenzene 
• 143-33-9 sodium cyanide 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 544-92-3 copper(I) cyanide 
• 89379-02-2 tert-butylmercury iodide 
• 100-47-0 benzonitrile 
• 63429-97-0 N-(4-(tert-butyl)phenyl)formamide 
• 937-07-5 4-tert-butylcyclohex-2-enone 
• 769-92-6 4-tert-Butylaniline 
• 623-26-7 terephthalonitrile 
• 1184-88-9 sodium pivalate 
• 85-01-8 phenanthrene 

Downstream Products

• 59528-30-2 4-(1,1-dimethylethyl)benzenemethanamine hydrochloride 
• 129488-49-9 4-tert-butyl-N-(4-cyanophenyl)benzamide 
• 135883-30-6 1-(4-tert-butylphenyl)-2-trimethylsilylethyne 
• 60028-84-4 N-methyl-4-tert-butylbenzoic acid amide 
• 57774-77-3 4-t-butyl phenyl thioamide 
• 945662-43-1 trans-[Os(II)(N(i-Pr₂PS)2)2(4-t-BuC₆H₄CN)2] 
• 1244340-87-1 (Al₄(CH₃)4(NC₆H₃(CH(CH₃)2)2)2((CH₃)3CC₆H₄CN)2(((CH₃)2CH)2C₆H₃NC(C₆H₄C(CH₃)3)N)2) 
• 1244340-86-0 (Al₄(CH₃)4(NC₆H₃(CH(CH₃)2)2)2(((CH₃)2CH)2C₆H₃NC(C₆H₄C(CH₃)3)N)2) 
• 1244340-81-5 (Al₄(CH₃)4(NHC₆H₃(CH(CH₃)2)2)4(((CH₃)2CH)2C₆H₃NC(C₆H₄C(CH₃)3)N)2) 
• 1352642-00-2 N-(2,6-diisopropylphenyl)-4-tert-butylbenzamidine 
• 1352641-99-6 N-phenyl-4-tert-butylbenzamidine 
• 17797-09-0 2-(4-tert-butylphenyl)propan-2-amine 
• 55846-72-5 1-(4-tert-butylphenyl)-3-phenylpropane-1,3-dione 
• 103826-50-2 1-(1,1-dimethylethyl)-4-(2-phenylethenyl)benzene 

Relevant articles and documents

Facile dehydration of primary amides to nitriles catalyzed by lead salts: The anionic ligand matters

The synthesis of nitrile under mild conditions was achieved via dehydration of primary amide using lead salts as catalyst. The reaction processes were intensified by not only adding surfactant but also continuously removing the only by-product, water from the system. Both aliphatic and aromatic nitriles can be prepared in this manner with moderate to excellent yields. The reaction mechanisms were obtained with high-level quantum chemical calculations, and the crucial role the anionic ligand plays in the transformations were revealed.

A Molecular Iron-Based System for Divergent Bond Activation: Controlling the Reactivity of Aldehydes

The direct synthesis of amides and nitriles from readily available aldehyde precursors provides access to functional groups of major synthetic utility. To date, most reliable catalytic methods have typically been optimized to supply one product exclusively. Herein, we describe an approach centered on an operationally simple iron-based system that, depending on the reaction conditions, selectively addresses either the C=O or C-H bond of aldehydes. This way, two divergent reaction pathways can be opened to furnish both products in high yields and selectivities under mild reaction conditions. The catalyst system takes advantage of iron's dual reactivity capable of acting as (1) a Lewis acid and (2) a nitrene transfer platform to govern the aldehyde building block. The present transformation offers a rare control over the selectivity on the basis of the iron system's ionic nature. This approach expands the repertoire of protocols for amide and nitrile synthesis and shows that fine adjustments of the catalyst system's molecular environment can supply control over bond activation processes, thus providing easy access to various products from primary building blocks.

Efficient nitriding reagent and application thereof

The invention discloses an efficient nitriding reagent and application thereof, wherein the nitriding reagent comprises nitrogen oxide, an active agent, a reducing agent and an organic solvent. By applying the nitriding reagent, nitrogen-containing compounds such as amide, nitrile and the like can be produced, and the method is simple in condition, low in waste discharge amount and simple in reaction equipment.