N1,N1-Diethyl-4-methylbenzene-1,3-diamine

Base Information

• Chemical Name: N1,N1-Diethyl-4-methylbenzene-1,3-diamine
• CAS No.: 172141-09-2
• Molecular Formula: C11H18N2
• Molecular Weight: 178.277
• DSSTox Substance ID: DTXSID10562043
• Nikkaji Number: J37.684A
• Wikidata: Q82446021
• Mol file: 172141-09-2.mol

Synonyms:N1,N1-Diethyl-4-methylbenzene-1,3-diamine;172141-09-2;SCHEMBL538824;DTXSID10562043;AEYNYHSOGNVQRY-UHFFFAOYSA-N;AKOS012208911;N~1~,N~1~-Diethyl-4-methylbenzene-1,3-diamine

Chemical Property of N1,N1-Diethyl-4-methylbenzene-1,3-diamine

Chemical Property:

• Vapor Pressure: 0.000726mmHg at 25°C
• Boiling Point: 307.4°C at 760 mmHg
• Flash Point: 125.2°C
• Density: 0.995g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.146998583
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=C(C=C1)C)N

Technology Process of N1,N1-Diethyl-4-methylbenzene-1,3-diamine

There total 2 articles about N1,N1-Diethyl-4-methylbenzene-1,3-diamine 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: 85.0%

diethyl(4-methyl-3-nitrophenyl)amine (810662-45-4) → 5-(N,N-diethylamino)-2-methylaniline (172141-09-2)

Guidance literature:

With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate; In dichloromethane; at 0 ℃; for 1.5h;

Reference yield:

4-Methyl-3-nitroanilin (119-32-4) → 5-(N,N-diethylamino)-2-methylaniline (172141-09-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate; methanol

2: tin; aqueous hydrochloric acid

With hydrogenchloride; methanol; tin; sodium carbonate;

Reference yield:

5-(N,N-diethylamino)-2-methylaniline (172141-09-2) → N,N-diethyl-4,N-dimethyl-3-methylcarbamoyloxy-anilinium; iodide (64049-94-1)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium nitrite; aqueous sulfuric acid / Erhitzen der Diazoniumsalz-Loesung mit Kupfer und wss.Schwefelsaeure

3: 100 °C

With sulfuric acid; sodium nitrite;

upstream raw materials:

diethyl(4-methyl-3-nitrophenyl)amine

4-Methyl-3-nitroanilin

Downstream raw materials:

5-diethylamino-2-methyl-phenol

methyl-carbamic acid-(5-diethylamino-2-methyl-phenyl ester)

N,N-diethyl-4,N-dimethyl-3-methylcarbamoyloxy-anilinium; iodide