5369-19-7

Basic information

• Product Name: 3-(TERT-BUTYL)ANILINE
• Synonyms: 3-tert-butylbenzenamine;1-Amino-3-(tert-butyl)benzene;Aniline, m-tert-butyl-;3-tert-Butylaniline;BUTTPARK 43\57-25;3-(TERT-BUTYL)ANILINE;3-tert-Butylaniline 98%;Benzenamine, 3-(1,1-dimethylethyl)-
• CAS NO: 5369-19-7
• Molecular Formula: C₁₀H₁₅N
• Molecular Weight: 149.23
• EINECS: 226-361-6
• Product Categories: Phenyls & Phenyl-Het;Drug Intermediates;Amines;Phenyls & Phenyl-Het
• Mol File: 5369-19-7.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 140 °C
• Flash Point: 100.5 °C
• Appearance: /
• Density: 0.942g/cm³
• Vapor Pressure: 0.0471mmHg at 25°C
• Refractive Index: 1.5390-1.5430
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 4.69±0.10(Predicted)
• CAS DataBase Reference: 3-(TERT-BUTYL)ANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TERT-BUTYL)ANILINE(5369-19-7)
• EPA Substance Registry System: 3-(TERT-BUTYL)ANILINE(5369-19-7)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 5369-19-7(Hazardous Substances Data)

Usage

Description

3-(TERT-BUTYL)ANILINE, with the molecular formula C11H17N, is a substituted aniline derivative characterized by the attachment of a tert-butyl group to the nitrogen atom. This colorless to pale yellow liquid exhibits a slightly aromatic odor and is widely utilized in organic synthesis for the production of dyes, pigments, pharmaceuticals, agrochemicals, and specialty chemicals. However, it is classified as a hazardous material due to its toxicity and potential to cause skin and eye irritation.

Uses

Used in Organic Synthesis:
3-(TERT-BUTYL)ANILINE is used as a key intermediate in the synthesis of various organic compounds for [application reason] its ability to facilitate the creation of a diverse range of chemical products.
Used in Dye and Pigment Production:
3-(TERT-BUTYL)ANILINE is used as a precursor in the production of dyes and pigments for [application reason] its chemical structure that allows for the development of colorants with specific properties.
Used in Pharmaceutical Manufacturing:
3-(TERT-BUTYL)ANILINE is used as an intermediate in the manufacturing of pharmaceuticals for [application reason] its role in the synthesis of active pharmaceutical ingredients.
Used in Agrochemical Production:
3-(TERT-BUTYL)ANILINE is used as a component in the production of agrochemicals for [application reason] its contribution to the development of effective crop protection agents.
Used in Specialty Chemicals Industry:
3-(TERT-BUTYL)ANILINE is used as a building block in the creation of specialty chemicals for [application reason] its versatility in forming compounds with unique characteristics for specific applications.

InChI:InChI=1/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3

Upstream product

• 253185-03-4 tert-butylbenzene 
• 15516-64-0 (E)-1-(3-(tert-butyl)phenyl)-2-phenyldiazene 
• 17082-12-1 trans-azobenzene 
• 88-18-6 2-tert-Butylphenol 
• 58574-05-3 4-tert-Butyl-2-nitrochlorobenzene 
• 3972-56-3 4-(tert-butyl)chlorobenzene 
• 62-53-3 aniline 
• 4534-70-7 3-tert-butylcyclohexanol 
• 83451-66-5 3-Tert_.-butylcyclohexylamine 
• 7440-05-3 palladium 
• 70729-05-4 1-Bromo-4-tert-butyl-2-nitro-benzene 
• 6310-19-6 4-tert-butyl-2-nitroaniline 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 23132-52-7 1-tert-butyl-3-nitrobenzene 

Downstream Products

• 17332-54-6 2-((3-(tert-butyl)phenyl)amino)benzoic acid 
• 83054-78-8 N,N’-bis(3-tertbutylphenyl)perylene-3,4,9,10-bis(dicarboximide) 
• 261711-98-2 N-(5-tert-butyl-2-nitro-phenyl)-2,2,2-trifluoro-acetamide 
• 54237-37-5 5-tert-butyl-1,3-benzothiazole-2-thiol 
• 867069-49-6 9-(3,5-dimethoxyphenyl)-6-(tert-butyl)-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one 
• 65259-89-4 3-tert-butylphenylthiourea 
• 926923-18-4 N-(3-(tert-butyl)phenyl)-3-iodo-4-methylbenzamide 
• 1260426-66-1 C₂₃H₂₄F₃N₅ 
• 1192314-41-2 ethyl 2-(2-(3-tert-butylphenyl)hydrazono)-2-chloroacetate 
• 1380609-81-3 3-(3-(3-(tert-butyl)phenyl)-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine 
• 1380609-75-5 N-(3-(tert-butyl)phenyl)-3-nitropyridin-2-amine 
• 1445996-43-9 3-{4-[(3-tert-butylphenylaminooxalyl)amino]phenyl}hex-4-ynoic acid 
• 1453875-03-0 C₁₇H₁₉N 

Relevant articles and documents

One-Pot Generation of Benzynes from Phenols: Formation of Primary Anilines by the Deoxyamination of Phenols

Benzynes were selectively generated in situ from phenols and trapped regioselectively with potassium hexamethyldisilazide to form primary anilines following acidic workup. The direct conversion of a phenolic hydroxyl group into a free amino group is a useful method for the preparation of primary aryl amines that are hard to synthesize by using coupling reactions involving phenol derivatives with ammonia. Whereas reactions of ortho- and meta-substituted phenols produced meta-substituted anilines exclusively, those of para-substituted phenols provided ortho-silylanilines.

Pyridyl Radical Cation for C?H Amination of Arenes

Electron-transfer photocatalysis provides access to the elusive and unprecedented N-pyridyl radical cation from selected N-substituted pyridinium reagents. The resulting C(sp2)?H functionalization of (hetero)arenes furnishes versatile intermediates for the development of valuable aminated aryl scaffolds. Mechanistic studies that include the first spectroscopic evidence of a spin-trapped N-pyridyl radical adduct implicate SET-triggered, pseudo-mesolytic cleavage of the N?X pyridinium reagents mediated by visible light.

Preparation method of m-alkylaniline

A preparation method of m-alkylaniline employs reduction of m-alkylazobenzene to prepare m-alkylaniline, and the reduction may be carried out in two ways; to be specific, in the first way, m-alkylazobenzene, a metal, an acid and a solvent are added directly into a reactor, wherein the metal is iron or zinc, the acid is acetic acid or hydrochloric acid, the solvent is methanol or ethanol, reacting proceeds at room temperature for 24 h, and a product is separated to obtain the m-alkylaniline; in the second way, the reduction is carried out through catalytic hydrogenation to obtain the product m-alkylaniline. The preparation method of the invention is simple and has few steps.