39895-55-1

Basic information

• Product Name: 4-tert-Butylbenzylamine
• Synonyms: RARECHEM AL BW 0711;P-T-BUTYLBENZYLAMINE;4-TERT-BUTYLBENZYLAMINE;4-TERT-BUTYLBENZYLAMINE HCL;4-(T-BUTYL)BENZYLAMINE;AKOS 216-20;(4-tert-butylphenyl)methanamine;4-Tert-Butyl-Benzylamin
• CAS NO: 39895-55-1
• Molecular Formula: C₁₁H₁₇N
• Molecular Weight: 163.26
• EINECS: 254-681-6
• Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Aminomethyl's;Phenyls & Phenyl-Het;Amine;Phenyls & Phenyl-Het;Amines;C11 to C38;Nitrogen Compounds
• Mol File: 39895-55-1.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 235-236 °C(lit.)
• Flash Point: 225 °F
• Appearance: Clear pale yellow/Liquid
• Density: 0.927 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.036mmHg at 25°C
• Refractive Index: 1.52-1.522
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• PKA: 9.24±0.10(Predicted)
• Water Solubility: Not miscible or difficult to mix with water.
• Sensitive: Air Sensitive
• BRN: 2961797
• CAS DataBase Reference: 4-tert-Butylbenzylamine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-Butylbenzylamine(39895-55-1)
• EPA Substance Registry System: 4-tert-Butylbenzylamine(39895-55-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-24/25
• RIDADR: 2735
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 39895-55-1(Hazardous Substances Data)

Usage

Description

4-tert-Butylbenzylamine is an organic compound characterized by the presence of a tert-butyl group attached to a benzene ring, with an amine functional group attached to the benzylic carbon. It is known for its reactivity and stability, making it a versatile building block in various chemical reactions.

Uses

Used in Organic Synthesis:
4-tert-Butylbenzylamine is used as a key intermediate for the preparation of imines through TiO2-catalyzed aerobic photocatalytic oxidation of benzylic amines. This method offers a green and efficient approach to synthesize imines, which are important building blocks in organic chemistry.
Used in Pharmaceutical Industry:
4-tert-Butylbenzylamine is used as a crucial raw material and intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and reactivity contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 4-tert-Butylbenzylamine is utilized as a vital precursor in the production of agrochemicals, such as pesticides and herbicides. Its role in these applications is to provide the necessary structural features for effective pest control and crop protection.
Used in Dye Industry:
4-tert-Butylbenzylamine is employed as a key intermediate in the synthesis of various dyes and pigments. Its presence in these compounds contributes to the color, stability, and performance of the final dye products, making it an essential component in the dye industry.

InChI:InChI=1/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3

Upstream product

• 877-65-6 p-tert-butylbenzyl alcohol 
• 4210-32-6 4-tert-butyl benzonitrile 
• 56108-12-4 4-tert-butylbenzamide 
• 18880-00-7 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene 
• 939-97-9 4-tert-Butylbenzaldehyde 
• 149879-57-2 N-<4-(1,1-Dimethylethyl)phenylmethyl>-phthalimid 

Downstream Products

• 31088-81-0 4-tert-butylbenzyl isothiocyanate 
• 204194-28-5 N-(4-t-butylbenzyl)-3,4-dibromomaleimide 
• 864176-64-7 C₄₅H₆₁N₃O₅Si 
• 124084-75-9 N-(4-t-butylbenzyl)-2-methyl-4,5,6,7-tetrahydro-3-(2H)-indazolecarboxamide 
• 795276-94-7 (4-tert-butyl-benzyl)-carbamic acid phenyl ester 
• 936219-09-9 4-(4-tert-butylbenzyl)-3-(2,3-dichlorophenyl)-4H-1,2,4-triazole 
• 1025324-10-0 5-CH₂C₆H₄C(CH₃)3-2-ferrocenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one 
• 1101861-20-4 5-(4-tert-butylbenzyl)-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one 
• 1101861-26-0 5-(4-tert-butylbenzyl)-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one 
• 1101861-32-8 5-(4-tert-butylbenzyl)-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one 
• 1027096-99-6 2-tert-butyl-4-chloro-5-(4-tert-butylbenzyl)amino-3-(2H)-pyridazinone 
• 875305-51-4 N-(4-tert-butyl-benzyl)-4,4,4-trifluoro-3-trifluoromethyl-butyramide 
• 1161830-85-8 BrCH₂-4-C₆H₄CONHCH₂-4-C₆H₄-t-Bu 
• 1161830-87-0 BrCH₂-4-C₆H₄CH₂CONHCH₂-4-C₆H₄-t-Bu 

Relevant articles and documents

Benzimidazole fragment containing Mn-complex catalyzed hydrosilylation of ketones and nitriles

The synthesis of a new bidentate (NN)–Mn(I) complex is reported and its catalytic activity towards the reduction of ketones and nitriles is studied. On comparing the reactivity of various other Mn(I) complexes supported by benzimidazole ligand, it was observed that the Mn(I) complexes bearing 6-methylpyridine and benzimidazole fragments exhibited the highest catalytic activity towards monohydrosilylation of ketones and dihydrosilylation of nitriles. Using this protocol, a wide range of ketones were selectively reduced to the corresponding silyl ethers. In case of unsaturated ketones, the chemoselective reduction of carbonyl group over olefinic bonds was observed. Additionally, selective dihydrosilylation of several nitriles were also achieved using this complex. Mechanistic investigations with radical scavengers suggested the involvement of radical species during the catalytic reaction. Stoichiometric reaction of the Mn(I) complex with phenylsilane revealed the formation of a new Mn(I) complex.

Ultra-small cobalt nanoparticles from molecularly-defined Co-salen complexes for catalytic synthesis of amines

We report the synthesis of in situ generated cobalt nanoparticles from molecularly defined complexes as efficient and selective catalysts for reductive amination reactions. In the presence of ammonia and hydrogen, cobalt-salen complexes such as cobalt(ii)-N,N′-bis(salicylidene)-1,2-phenylenediamine produce ultra-small (2-4 nm) cobalt-nanoparticles embedded in a carbon-nitrogen framework. The resulting materials constitute stable, reusable and magnetically separable catalysts, which enable the synthesis of linear and branched benzylic, heterocyclic and aliphatic primary amines from carbonyl compounds and ammonia. The isolated nanoparticles also represent excellent catalysts for the synthesis of primary, secondary as well as tertiary amines including biologically relevant N-methyl amines.

N-Alkylation of Aqueous Ammonia with Alcohols Leading to Primary Amines Catalyzed by Water-Soluble N-Heterocyclic Carbene Complexes of Iridium

A new catalytic system for the N-monoalkylation of aqueous ammonia with a variety of alcohols was developed. Water-soluble dicationic complexes of iridium bearing N-heterocyclic carbene and diammine ligands exhibited high catalytic activity for this type of reaction on the basis of hydrogen-transfer processes without generating harmful or wasteful byproducts. Various primary amines were efficiently synthesized by using safe, inexpensive, and easily handled aqueous ammonia as a nitrogen source. For example, the reaction of 1-(4-methylphenyl)ethanol with aqueous ammonia in the presence of a water-soluble N-heterocyclic carbene complex of iridium at 150 °C for 40 h gave 1-(4-methylphenyl)ethylamine in 83 % yield.