N,N'-Bis(1,4-dimethylpentyl)-P-phenylenediamine

Base Information

• Chemical Name: N,N'-Bis(1,4-dimethylpentyl)-P-phenylenediamine
• CAS No.: 3081-14-9
• Deprecated CAS: 583049-46-1
• Molecular Formula: C20H36 N2
• Molecular Weight: 304.519
• Hs Code.: 2921519090
• European Community (EC) Number: 221-375-9
• UNII: 8VAF71SNQ5
• DSSTox Substance ID: DTXSID2024618
• Nikkaji Number: J15.141F
• Wikidata: Q27271074
• Mol file: 3081-14-9.mol

Synonyms:3081-14-9;N,N'-BIS(1,4-DIMETHYLPENTYL)-P-PHENYLENEDIAMINE;Eastozone 33;Eastozone;Tenamene 4;Elastozone 33;Flexzone 4L;Santoflex 77;Antioxidant 4030;1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;77PPD;UOP 788;NCI-C56337;1,4-Benzenediamine, N,N'-bis(1,4-dimethylpentyl)-;CCRIS 4750;p-Phenylenediamine, N,N'-bis(1,4-dimethylpentyl)-;EINECS 221-375-9;N,N-Di(1,4-dimethylpentyl)-p-phenylenediamine;UNII-8VAF71SNQ5;BRN 2739028;8VAF71SNQ5;1,4-Benzenediamine, N1,N4-bis(1,4-dimethylpentyl)-;N,N'-Bis(1,4-dimethylpentyl)-1,4-benzenediamine;N,N'-Bis-(1,4 dimethylpentyl)-p-phenylenediamine;EC 221-375-9;N,N'-Di(1,4-dimethylpentyl)-p-phenylenediamine;N,N'-Bis(1,4-dimethylpentyl)-4-phenylenediamine;humax;SCHEMBL39071;n,n'-bis-(1,4-dimethylpentyl)-p-phenylenediamine;77PD;DTXSID2024618;AKOS033593546;LS-1163;EN300-171137;N,N/'-Bis(1,4-dimethylpentyl)-P-phenylenediamine;N,N'-bis(1,4-dimethylpentyl)-1,4-phenylenediamine;N1,N4-bis(5-methylhexan-2-yl)benzene-1,4-diamine;Q27271074;N,N'-BIS(2-(5-METHYLHEXYL))-P-PHENYLENEDIAMINE;Z1751959908;N,N'-Bis(1,4-dimethylpentyl)-p-phenylenediamine (77PD)

Chemical Property of N,N'-Bis(1,4-dimethylpentyl)-P-phenylenediamine

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Refractive Index: 1.6450 (estimate)
• Boiling Point: 421°Cat760mmHg
• PKA: 8.59±0.50(Predicted)
• Flash Point: 234.8°C
• PSA: 24.06000
• Density: 0.928g/cm³
• LogP: 6.30580
• Water Solubility.: 800μg/L at 22℃
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 304.287849157
• Heavy Atom Count: 22
• Complexity: 239

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)NC(C)CCC(C)C
• Uses: N-Cyclohexyl-2-benzothiazyl sulphenamide is an intermediate in organic synthesis; an accelerator in natural and styrene-butadienethiazyl sulfenamide rubber.

Technology Process of N,N'-Bis(1,4-dimethylpentyl)-P-phenylenediamine

There total 5 articles about N,N'-Bis(1,4-dimethylpentyl)-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: 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:

5-Methyl-2-hexanone (110-12-3) + 1,4-phenylenediamine (106-50-3) → N,N'-bis-(1,4-dimethylpentyl)-1,4-phenylenediamine (3081-14-9)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 10 - 30 ℃; Temperature; Solvent; Reagent/catalyst; Inert atmosphere;

Reference yield:

5-Methyl-2-hexanone (110-12-3) + 4-nitro-aniline (100-01-6,104810-17-5) → N,N'-bis-(1,4-dimethylpentyl)-1,4-phenylenediamine (3081-14-9)

Guidance literature:

5-Methyl-2-hexanone; 4-nitro-aniline; at 120 - 124 ℃; for 24h; Autoclave;

With palladium on activated charcoal; hydrogen; at 155 - 160 ℃; for 1.5h; under 15001.5 Torr; Reagent/catalyst; Pressure;

upstream raw materials:

5-Methyl-2-hexanone

1,4-phenylenediamine

4-nitro-aniline

Refernces

• 1、 -. "Continuous preparation method of N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine". Paragraph 0033-0036. . Retrieved 2017/05/06.
• 2、 -. "Stabilization of polymers with styrenated-p-cresols". . . Retrieved 2008/12/08.