N-(1-ethylpropyl)-3,4-dimethylaniline

Base Information

• Chemical Name: N-(1-ethylpropyl)-3,4-dimethylaniline
• CAS No.: 56038-89-2
• Molecular Formula: C13H21N
• Molecular Weight: 191.316
• Hs Code.: 2942000000
• European Community (EC) Number: 611-347-8
• UNII: L2PBQ2GDBJ
• DSSTox Substance ID: DTXSID4028040
• Nikkaji Number: J1.581.716J
• Wikidata: Q27282628
• ChEMBL ID: CHEMBL3184416
• Mol file: 56038-89-2.mol

Synonyms:56038-89-2;N-(1-ethylpropyl)-3,4-dimethylaniline;3,4-dimethyl-N-(pentan-3-yl)aniline;3,4-dimethyl-N-pentan-3-ylaniline;N-(1-Ethylpropyl)-3,4-Xylidine;Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-;Benzenamine, N-(1-ethylpropyl)-4,5-dimethyl-;L2PBQ2GDBJ;UNII-L2PBQ2GDBJ;DTXSID4028040;N-(1-ethylpropyl)-3,4-dimethylBenzenamine;N-3-pentyl-3,4-xylidine;DTXCID008040;SCHEMBL7521514;CHEMBL3184416;Tox21_301810;MFCD05662422;AKOS000235589;NCGC00255392-01;AS-63020;CAS-56038-89-2;LS-195528;CS-0251629;FT-0714993;N-(1-ethylpropyl)-3,4-dimethyl-benzenamine;EN300-55448;J1.581.716J;Q27282628;Z334935968;N-(1-Ethylpropyl)-3,4-dimethylaniline,N-(1-Ethylpropyl)-3,4-xylidine

Chemical Property of N-(1-ethylpropyl)-3,4-dimethylaniline

Chemical Property:

• Appearance/Colour: Red-brown to brown liquid
• Vapor Pressure: 0.0021mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 290.2 °C at 760 mmHg
• PKA: 6.11±0.33(Predicted)
• Flash Point: 129 °C
• PSA: 12.03000
• Density: 0.92 g/cm³
• LogP: 3.97690
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Chloroform (Sparingly), Methanol (Sparingly)
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

N-(1-Ethylpropyl)-3,4-xylidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)NC1=CC(=C(C=C1)C)C
• Uses: N-(1-Ethylpropyl)-3,4-xylidine is a useful compound in the synthesis of dinitro herbicides via one-step dinitration with nitric acid in continuous-flow microreactor.

Technology Process of N-(1-ethylpropyl)-3,4-dimethylaniline

There total 8 articles about N-(1-ethylpropyl)-3,4-dimethylaniline 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%

3,4-dimethyliodobenzene (31599-61-8) + 3-aminopentane (616-24-0) → N-(1-ethylpropyl)-3,4-dimethyl-benzenamine (56038-89-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; palladium diacetate; sodium carbonate; sodium t-butanolate; In 5,5-dimethyl-1,3-cyclohexadiene; at 90 ℃; for 6h; Reagent/catalyst; Temperature;

Reference yield: 98.9%

4-chloro-1,2-dimethylbenzene (615-60-1) + 3-aminopentane (616-24-0) → N-(1-ethylpropyl)-3,4-dimethyl-benzenamine (56038-89-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; palladium diacetate; sodium carbonate; sodium t-butanolate; In toluene; at 80 ℃; for 6h; Temperature; Reagent/catalyst;

Reference yield: 98.4%

3-aminopentane (616-24-0) + 3,4-dimethylphenyl trifluoromethanesulfonate (255837-23-1) → N-(1-ethylpropyl)-3,4-dimethyl-benzenamine (56038-89-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; palladium diacetate; sodium carbonate; sodium t-butanolate; In toluene; at 90 ℃; for 6h; Reagent/catalyst;

upstream raw materials:

4-amino-o-xylene

pentan-3-one

3,5-Dihydroxybenzoic acid

3,4-dimethyliodobenzene

Downstream raw materials:

prowl

C₁₃H₁₇N₃O₄

N-(1-ethylpropyl)-N,2,6-trinitro-3,4-xylidine

N-(1-Ethylpropyl)-6-nitro-3,4-xylidin

Refernces

• 1、 Chen, Yizheng,Zhao, Yuchao,Han, Mei,Ye, Chunbo,Dang, Minhui,Chen, Guangwen. "Safe, efficient and selective synthesis of dinitro herbicides via a multifunctional continuous-flow microreactor: One-step dinitration with nitric acid as agent". supporting information. p. 91 - 94. Retrieved 2013/02/23.
• 2、 -. "Preparation of 2,6-dinitroanilines". . . Retrieved 2008/06/13.