Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-

Base Information

• Chemical Name: Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-
• CAS No.: 51219-00-2
• Deprecated CAS: 786711-55-5
• Molecular Formula: C₁₃H₂₁NO
• Molecular Weight: 207.316
• European Community (EC) Number: 257-061-3
• DSSTox Substance ID: DTXSID10885946
• Nikkaji Number: J261.661K
• Mol file: 51219-00-2.mol

Synonyms:51219-00-2;2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-;EINECS 257-061-3;Metolachlor des(chloroacetyl);2-Ethyl-N-(2-methoxyisopropyl)-6-methylaniline;2-Ethyl-6-methyl-N-(1'-methyl-2-methoxyethyl)aniline;SCHEMBL3466659;DTXSID10885946;MFCD16787883;AKOS011824386;CS-0244956;FT-0697116;EN300-297170;2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methylaniline;Z992445812;Metolachlor-des(chloroacetyl) 100 microg/mL in Acetonitrile

Chemical Property of Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-

Chemical Property:

• Vapor Pressure: 0.000425mmHg at 25°C
• Boiling Point: 315.9°Cat760mmHg
• Flash Point: 131.9°C
• Density: 0.967g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 207.162314293
• Heavy Atom Count: 15
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC(=C1NC(C)COC)C

Technology Process of Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-

There total 18 articles about Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl- 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: 99.0%

N-(2-ethyl-6-methylphenyl)-N-(1'-methoxymethyl)-ethylidene-amine (132034-47-0) → 2-methyl-6-ethyl-N-(1-methyl-2-methoxyethyl)aniline (51219-00-2,118604-69-6,118604-70-9,786711-55-5)

Guidance literature:

With sodium tetrahydroborate; boric acid; at 25 ℃;

DOI:10.1016/j.tet.2005.04.039

Reference yield: 98.0%

Methoxyacetone (5878-19-3) + 6-ethyl-o-toluidine (24549-06-2) → 2-methyl-6-ethyl-N-(1-methyl-2-methoxyethyl)aniline (51219-00-2,118604-69-6,118604-70-9,786711-55-5)

Guidance literature:

With phosphoric acid; palladium on activated charcoal; hydrogen; In toluene; at 70 ℃; for 0.5h; under 11251.1 Torr; Autoclave;

Reference yield: 91.0%

N-(2’-methyl-6’-ethyl-phenyl)-N-1-(methoxymethyl)ethylimine (118604-68-5) → (R)-2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline (51219-00-2,118604-70-9,118604-69-6,786711-55-5) + (S)-2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline (118604-70-9,786711-55-5)

Guidance literature:

With hydrogen; acetic acid; at 40 ℃; for 26h; Autoclave;

upstream raw materials:

2-Bromo-1-methoxypropane

6-ethyl-o-toluidine

methyl iodide

N-(2-ethyl-6-methylphenyl)-N-(1'-methoxymethyl)-ethylidene-amine

Downstream raw materials:

2-chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide

(aRS,1'R)-(+)-N-(1'-Methyl-2'-methoxyethyl)-N-chloracetyl-2-ethyl-6-methylanilin

(S)-metolachlor

3-[(2-Ethyl-6-methyl-phenyl)-(2-methoxy-1-methyl-ethyl)-carbamoyl]-but-3-enoic acid methyl ester

Refernces

• 1、 -. "Method for preparing chiral amine through asymmetric hydrogenation based on glucose-derived monodentate phosphite ligand". Paragraph 0080-0084. . Retrieved 2020/07/06.
• 2、 -. "Method for asymmetric reductive amination based on fructose-derived chiral monodentate phosphite ligand ketone". Paragraph 0085-0089. . Retrieved 2020/07/06.