57120-36-2

Basic information

• Product Name: 4-(tert-butoxy)aniline
• Synonyms: 4-(tert-butoxy)aniline;p-tert-Butoxyaniline;4-tert-butoxybenzenamine
• CAS NO: 57120-36-2
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.2322
• Mol File: 57120-36-2.mol
• Article Data: 11

Chemical Properties

• Melting Point: 73-74 °C
• Boiling Point: 91-92.5 °C(Press: 0.4 Torr)
• Appearance: /
• Density: 0.999±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 5.28±0.10(Predicted)
• CAS DataBase Reference: 4-(tert-butoxy)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(tert-butoxy)aniline(57120-36-2)
• EPA Substance Registry System: 4-(tert-butoxy)aniline(57120-36-2)

Safety Data

• Statements: 43
• Safety Statements: 36/37
• Hazardous Substances Data: 57120-36-2(Hazardous Substances Data)

Usage

General Description

4-(tert-butoxy)aniline is a chemical compound known for its utility in a variety of industrial and laboratory applications. This chemical, an aromatic amine, has a tert-butyl group attached to the oxygen atom which takes the place of one hydrogen on the aniline. It is used as a precursor in the synthesis of dyes, pharmaceuticals, and other organic compounds. This chemical also exhibits properties consistent with structural and functional qualities found within organic pigments. As with many aniline derivatives, it needs to be handled with caution due to potential health hazards. It is general practice to avoid prolonged skin contact, inhalation, and ingestion of this compound.

Upstream product

• 2109-72-0 4-tert-butoxy-1-nitrobenzene 
• 18995-35-2 4-tert-butoxychlorobenzene 
• 6669-13-2 t-butyl phenyl ether 
• 100-02-7 4-nitro-phenol 

Downstream Products

• 2109-73-1 N-(4-tert-butoxyphenyl)acetamide 
• 222637-83-4 1-azido-4-(tert-butoxy)benzene 
• 1088433-81-1 (2R,5S)-diethyl 1-(4-tert-butoxyphenyl)-2,5-bis(4-(trifluoromethyl)phenyl)imidazolidine-4,4-dicarboxylate 
• 1088433-86-6 (2R,5S)-diethyl 2,5-bis(3-bromophenyl)-1-(4-tert-butoxyphenyl)imidazolidine-4,4-dicarboxylate 
• 1088433-83-3 (2R,5S)-diethyl 1-(4-tert-butoxyphenyl)-2,5-bis(4-fluorophenyl)imidazolidine-4,4-dicarboxylate 
• 1088433-82-2 (2R,5S)-diethyl 1-(4-tert-butoxyphenyl)-2,5-bis(4-chlorophenyl)imidazolidine-4,4-dicarboxylate 
• 1088433-90-2 (2R,5S)-diethyl 1-(4-tert-butoxyphenyl)-2,5-di(naphthalen-1-yl)imidazolidine-4,4-dicarboxylate 
• 1088433-77-5 (2R,5S)-diethyl 1-(4-tert-butoxyphenyl)-2,5-bis(4-nitrophenyl)imidazolidine-4,4-dicarboxylate 
• 1088433-75-3 (2R,5S)-diethyl 1-(4-tert-butoxyphenyl)-2,5-diphenylimidazolidine-4,4-dicarboxylate 
• 1088433-95-7 (2S,5S)-diethyl 2,5-bis(4-bromophenyl)-1-(4-tert-butoxyphenyl)imidazolidine-4,4-dicarboxylate 
• 1088433-78-6 (2R,5S)-diethyl 2,5-bis(4-bromophenyl)-1-(4-tert-butoxyphenyl)imidazolidine-4,4-dicarboxylate 
• 1088433-79-7 (2R,5S)-diethyl 1-(4-tert-butoxyphenyl)-2,5-bis(4-cyanophenyl)imidazolidine-4,4-dicarboxylate 

Relevant articles and documents

Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (RORγt) modulators: insights into different protein behaviors with “short” and “long” inverse agonists

A series of 6-substituted carbazole-based retinoic acid-related orphan receptor gamma-t (RORγt) modulators were discovered through 6-position modification guided by insights from the crystallographic profiles of the “short” inverse agonist 6. With the increase in the size of the 6-position substituents, the “short” inverse agonist 6 first reversed its function to agonists and then to “long” inverse agonists. The cocrystal structures of RORγt complexed with the representative “short” inverse agonist 6 (PDB: 6LOB), the agonist 7d (PDB: 6LOA) and the “long” inverse agonist 7h (PDB: 6LO9) were revealed by X-ray analysis. However, minor differences were found in the binding modes of “short” inverse agonist 6 and “long” inverse agonist 7h. To further reveal the molecular mechanisms of different RORγt inverse agonists, we performed molecular dynamics simulations and found that “short” or “long” inverse agonists led to different behaviors of helixes H11, H11’, and H12 of RORγt. The “short” inverse agonist 6 destabilizes H11’ and dislocates H12, while the “long” inverse agonist 7h separates H11 and unwinds H12. The results indicate that the two types of inverse agonists may behave differently in downstream signaling, which may help identify novel inverse agonists with different regulatory mechanisms.

Oxalic amide ligands, and uses thereof in copper-catalyzed coupling reaction of aryl halides

The present invention provides oxalic amide ligands and uses thereof in copper-catalyzed coupling reaction of aryl halides. Specifically, the present invention provides a use of a compound represented by formula I, wherein definitions of each group are described in the specification. The compound represented by formula I can be used as a ligand in copper-catalyzed coupling reaction of aryl halides for the formation of C—N, C—O and C—S bonds.

Fe-Catalyzed Amination of (Hetero)Arenes with a Redox-Active Aminating Reagent under Mild Conditions

A novel and efficient Fe-catalyzed direct C?H amination (NH2) of arenes is reported using a new redox-active aminating reagent. The reaction is simple, and can be performed under air, mild, and redox-neutral conditions. This protocol has a broad substrate scope and could be used in the late-stage modification of bioactive compounds. Mechanistic studies demonstrate that a radical pathway could be involved in this transformation.