68176-57-8

Basic information

• Product Name: 4-(TERT-BUTYL)-1,2-DIAMINOBENZENE
• Synonyms: BUTTPARK 43\57-24;4-(TERT-BUTYL)BENZENE-1,2-DIAMINE;4-(TERT-BUTYL)-1,2-DIAMINOBENZENE;4-tert-Butyl-o-phenylenediamine;3,4-Diamino-1-tert-butylbenzene;4-tert-Butyl-1,2-benzenediamine;4-(Tert-butyl)-2-aMino-aniline;4-(tert-Butyl)-1,2-diaminobenzene, 4-(tert-Butyl)phenylene-1,2-diamine
• CAS NO: 68176-57-8
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.25
• Mol File: 68176-57-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: 98 °C
• Boiling Point: 290.5 °C at 760 mmHg
• Flash Point: 153 °C
• Appearance: /
• Density: 1.022 g/cm³
• Vapor Pressure: 0.00207mmHg at 25°C
• Refractive Index: 1.575
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: Soluble in most common organic solvents.
• PKA: 4.49±0.10(Predicted)
• CAS DataBase Reference: 4-(TERT-BUTYL)-1,2-DIAMINOBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TERT-BUTYL)-1,2-DIAMINOBENZENE(68176-57-8)
• EPA Substance Registry System: 4-(TERT-BUTYL)-1,2-DIAMINOBENZENE(68176-57-8)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39-36/37
• HazardClass: 6.1
• Hazardous Substances Data: 68176-57-8(Hazardous Substances Data)

Usage

Uses

4-(tert-Butyl)-o-phenylenediamine, is used as a as a co-catalyst for the polymerization of o-phenylenediamine and its derivatives.

InChI:InChI=1/C10H16N2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,11-12H2,1-3H3

Upstream product

• 5369-19-7 3-tert-butylaniline 
• 38382-35-3 N-[3-(tert-butyl)phenyl]acetamide 
• 20330-45-4 4-tert-butylacetanilide 
• 769-92-6 4-tert-Butylaniline 
• 6310-19-6 4-tert-butyl-2-nitroaniline 
• 6933-55-7 acetic acid-(5-tert-butyl-2-nitro-anilide) 
• 40655-37-6 N-(4-(tert-butyl)-2-nitrophenyl)acetamide 
• 3282-56-2 4-tert-butylnitrobenzene 
• 253185-03-4 tert-butylbenzene 

Downstream Products

• 1425795-64-7 5-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)-1-(4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione 
• 99840-59-2 5-(1,1-dimethylethyl)-1,3-dihydrobenzimidazol-2-one 
• 342045-53-8 6-tert-butyl-2,3-diphenylquinoxaline 

Relevant articles and documents

Spectroscopic and computational investigations of the thermodynamics of boronate ester and diazaborole self-assembly

The solution phase self-assembly of boronate esters, diazaboroles, oxathiaboroles, and dithiaboroles from the condensation of arylboronic acids with aromatic diol, diamine, hydroxythiol, and dithiol compounds in chloroform has been investigated by 1H NMR spectroscopy and computational methods. Six arylboronic acids were included in the investigations with each boronic acid varying in the substituent at its 4-position. Both computational and experimental results show that the para-substituent of the arylboronic acid does not significantly influence the favorability of forming a condensation product with a given organic donor. The type of donor, however, greatly influences the favorability of self-assembly. 1H NMR spectroscopy indicates that condensation reactions between arylboronic acids and catechol to give boronate esters are the most favored thermodynamically, followed by diazaborole formation. Computational investigations support this conclusion. Neither oxathiaboroles nor dithiaboroles form spontaneously at equilibrium in chloroform at room temperature. Computational results suggest that the effect of borylation on the frontier orbitals of each donor helps to explain differences in the favorability of their condensation reactions with arylboronic acids. The results can inform the use of boronic acids as they are increasingly utilized in the dynamic self-assembly of organic materials and as components in dynamic combinatorial libraries.

Process for the manufacture of benzimidazolones-(2)

Process for the manufacture of benzimidazolones-(2) wherein an o-phenylenediamine is reacted with optionally alkylated urea in the ratio of 1 to 1.3 moles per mole o-phenylenediamine in an organic solvent which has a solubility in water of not more than 5 g/l and has a boiling point above 100° C, at a temperature between 100° and 200° C.