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

General Description

3-(tert-butyl)aniline is a chemical compound with the molecular formula C11H17N. It is a substituted aniline derivative, with a tert-butyl group attached to the nitrogen atom. This chemical is commonly used in organic synthesis, particularly in the production of various dyes and pigments. It can also be used as an intermediate in the manufacturing of pharmaceuticals, agrochemicals, and other specialty chemicals. 3-(tert-butyl)aniline is a colorless to pale yellow liquid with a slightly aromatic odor, and it is considered to be a hazardous material due to its toxicity and potential for causing skin and eye irritation.

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

Upstream product

• 3972-56-3 4-(tert-butyl)chlorobenzene 
• 58574-05-3 4-tert-Butyl-2-nitrochlorobenzene 
• 88-18-6 2-tert-Butylphenol 
• 253185-03-4 tert-butylbenzene 
• 62-53-3 aniline 
• 17082-12-1 trans-azobenzene 
• 15516-64-0 (E)-1-(3-(tert-butyl)phenyl)-2-phenyldiazene 
• 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 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 23132-52-7 1-tert-butyl-3-nitrobenzene 
• 6310-19-6 4-tert-butyl-2-nitroaniline 

Downstream Products

• 101582-57-4 toluene-4-sulfonic acid-(3-tert-butyl-anilide) 
• 75919-92-5 1-(4-(4-nitrophenoxy)phenyl)ethanone 
• 261711-98-2 N-(5-tert-butyl-2-nitro-phenyl)-2,2,2-trifluoro-acetamide 
• 936801-68-2 tert-butyl-5-(3-tert-butylphenylcarbamoyl)-2-methylpyridin-3-ylcarbamate 
• 782504-35-2 4-tert-butyl-phenyl-4'-isopropyl-phenylamine 
• 65259-89-4 3-tert-butylphenylthiourea 
• 1192189-34-6 tert-butyl 4-(3-tert-butylphenylcarbamoyl)-4-methylpiperidine-1-carboxylate 
• 64794-30-5 N-(3-tert-butylphenyl)-2-chloronicotinamide 
• 1231732-17-4 N-(3-tert-butylphenyl)-2-cyclopentylnicotinamide 
• 1256163-06-0 5-(3-tert-butylphenylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde 
• 1445791-74-1 ethyl 3-((3-(tert-butyl)phenyl)amino)-5-nitrobenzoate 
• 1600521-17-2 1-(1-(5-(tert-butyl)phenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone 
• 1260583-60-5 N-[3-(2-methylpropan-2-yl)phenyl]-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide 

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.

A synthesis method of uncle-butyl phenol

The invention relates to a method for synthesizing 3-(tert-butyl)phenol. The method includes the following steps that 4-tert-butyl-1-chlorobenzene serves as a raw material and is nitrated to obtain 1-chlorine-4-tert-butyl-2-nitrobenzene; the 1-chlorine-4-tert-butyl-2-nitrobenzene is reduced to generate 3-tert-butylaniline; the 3-tert-butylaniline is diazotized and subjected to a hydrolysis reaction, and the 3-(tert-butyl)phenol is obtained. According to the path, the raw material is cheap and easy to get, elementary reaction conditions of the steps are mild, after-treatment is simple, the four-step reaction total yield is high, the 3-(tert-butyl)phenol with the purity higher than 97% can be obtained through distilling, and industrial production prospects are achieved.