N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine

Base Information

• Chemical Name: N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine
• CAS No.: 793-24-8
• Deprecated CAS: 50809-58-0,76600-84-5,76600-84-5
• Molecular Formula: C18H24N2
• Molecular Weight: 268.402
• Hs Code.: 2921519090
• European Community (EC) Number: 212-344-0
• ICSC Number: 1635
• UN Number: 3077
• UNII: HJD0U67PS1
• DSSTox Substance ID: DTXSID9025114
• Nikkaji Number: J21.253I
• Wikipedia: 6PPD
• Wikidata: Q27279957
• ChEMBL ID: CHEMBL1558796
• Mol file: 793-24-8.mol

Synonyms:N-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine;N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine;Santoflex 13

Chemical Property of N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine

Chemical Property:

• Appearance/Colour: Purple flakes
• Melting Point: 45-46 °C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 412.3 °C at 760 mmHg
• PKA: 6.73±0.32(Predicted)
• Flash Point: 245.8 °C
• PSA: 24.06000
• Density: 1.039 g/cm³
• LogP: 5.42270
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• Water Solubility.: <0.1 g/100 mL at 17 oC
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 268.193948774
• Heavy Atom Count: 20
• Complexity: 250
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

N-(1,3-Dimethylbutyl)-N'-phenyl-1,4-phenylenediamine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-43-50/53
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Polyaromatic
• Canonical SMILES: CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes and skin.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization.

Technology Process of N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine

There total 18 articles about N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-methyl-2-pentanone (108-10-1) + N-phenylphenylene-1,4-diamine (101-54-2) → N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine (793-24-8)

Guidance literature:

With hydrogen; at 99.84 ℃; for 4h; under 18751.9 Torr; Reagent/catalyst; Time; Catalytic behavior; Autoclave;

DOI:10.1039/C8NJ05948A

Reference yield: 92.6%

C18H22N2 (63302-40-9) → N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine (793-24-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In 5,5-dimethyl-1,3-cyclohexadiene; at 100 ℃; under 7500.75 Torr; Solvent; Temperature;

Reference yield:

4-methyl-2-pentanone (108-10-1) + N-phenylphenylene-1,4-diamine (101-54-2) → N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine (793-24-8) + aniline (62-53-3)

Guidance literature:

With 10% Pd/C; hydrogen; at 160 ℃; for 4h; under 22502.3 Torr; Autoclave;

DOI:10.1016/j.cclet.2012.07.016

upstream raw materials:

p-nitrosodiphenylamine

4-methyl-2-pentanone

4-ntrophenyl(phenyl)amine

N-phenylphenylene-1,4-diamine

Downstream raw materials:

C₂₂H₃₂N₂

C₂₄H₃₆N₂

Refernces

• 1、 -. "Synthesis method of antioxidant 6PPD to reduce side reactions". Paragraph 0016; 0018-0019. . Retrieved 2022/03/02.
• 2、 -. "SYNTHESIS SYSTEM, RUBBER CHEMICAL SUBSTANCE FOR TIRES, SYNTHETIC RUBBER FOR TIRES, AND PNEUMATIC TIRE". Paragraph 0125; 0126. . Retrieved 2013/03/26.