1,4-Benzenediamine, N-(1,4-dimethylpentyl)-

Base Information

• Chemical Name: 1,4-Benzenediamine, N-(1,4-dimethylpentyl)-
• CAS No.: 63302-43-2
• Molecular Formula: C13H22N2
• Molecular Weight: 206.331
• European Community (EC) Number: 613-198-4
• DSSTox Substance ID: DTXSID70866998
• Nikkaji Number: J1.363.730J
• Mol file: 63302-43-2.mol

Synonyms:63302-43-2;1,4-Benzenediamine, N-(1,4-dimethylpentyl)-;4-N-(5-methylhexan-2-yl)benzene-1,4-diamine;1,4-Benzenediamine, N1-(1,4-dimethylpentyl)-;EC 613-198-4;SCHEMBL819511;DTXSID70866998;MDDXGELKFXXQDP-UHFFFAOYSA-N;AKOS013242821;N-(1,4-dimethylpentyl)-p-phenylenediamine;n(1,4-dimethyl-pentyl)-benzene-1,4diamine;N-(1,4-Dimethylpentyl)-1,4-benzenediamine;N-(1,4-dimethylpentyl)benzene-1,4-diamine;N-(5-methylhexan-2-yl)benzene-1,4-diamine;n(1,4-dimethyl-pentyl)-benzene-1,4-diamine

Chemical Property of 1,4-Benzenediamine, N-(1,4-dimethylpentyl)-

Chemical Property:

• Vapor Pressure: 0.000129mmHg at 25°C
• Boiling Point: 334.3°C at 760 mmHg
• Flash Point: 182.8°C
• PSA: 38.05000
• Density: 0.978g/cm³
• LogP: 4.15960
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.178298710
• Heavy Atom Count: 15
• Complexity: 160

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(C)NC1=CC=C(C=C1)N
• Uses: N1-(1,4-Dimethylpentyl)-1,4-benzenediamine is used as a reactant in the one-pot reductive alkylation of diamines.

Technology Process of 1,4-Benzenediamine, N-(1,4-dimethylpentyl)-

There total 2 articles about 1,4-Benzenediamine, N-(1,4-dimethylpentyl)- 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: 99.5%

N-(1,4-dimethylpentyl)-p-acetanilide → N-(1,4-dimethylpentyl)-p-phenylenediamine (63302-43-2)

Guidance literature:

With potassium hydroxide; In ethanol; Reagent/catalyst;

Reference yield: 23.0%

5-Methyl-2-hexanone (110-12-3) + 1,4-phenylenediamine (106-50-3) → N-(1,4-dimethylpentyl)-p-phenylenediamine (63302-43-2) + N,N'-bis-(1,4-dimethylpentyl)-1,4-phenylenediamine (3081-14-9) + N-(1,4-dimethyl-pentylidene)-benzene-1,4-diamine + N,N'-bis-(1,4-dimethyl-pentylidene)-benzene-1,4-diamine

Guidance literature:

With hydrogen; (η4-1,5-cyclooctadiene)bis(triphenylphosphine)iridium hexafluorophosphate; Montmorillonite K₁₀; at 80 ℃; for 24h; under 7600 Torr;

DOI:10.1016/S0040-4039(00)01098-4

Reference yield: 98.3%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + N-(1,4-dimethylpentyl)-p-phenylenediamine (63302-43-2) → 2,4,6-tris-(N-(1,4-dimethylpentyl)-p-phenylenediamine)-1,3,5-triazine (121246-28-4)

Guidance literature:

In i-Amyl alcohol; at -5 - 85 ℃; for 7h; Temperature;

upstream raw materials:

5-Methyl-2-hexanone

1,4-phenylenediamine

Downstream raw materials:

2,6-di-tert-butyl-4-{[4-(1,4-dimethyl-pentylamino)-phenylamino]-methyl}-phenol

2,4,6-tris-(N-(1,4-dimethylpentyl)-p-phenylenediamine)-1,3,5-triazine