N-[(4-ethylphenyl)methyl]-2-methylpropan-2-amine

Base Information

• Chemical Name: N-[(4-ethylphenyl)methyl]-2-methylpropan-2-amine
• CAS No.: 137957-41-6
• Molecular Formula: C13H21N
• Molecular Weight: 191.31
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID90405989
• Wikidata: Q82210795
• Mol file: 137957-41-6.mol

Synonyms:137957-41-6;N-[(4-ethylphenyl)methyl]-2-methylpropan-2-amine;N-(4-ethylbenzyl)-2-methylpropan-2-amine;Benzenemethanamine, N-(1,1-dimethylethyl)-4-ethyl-;N-(4-ETHYLBENZYL)-2-METHYL-2-PROPANAMINE;DTXSID90405989;AKOS000127371;N-(tert-butyl)-N-(4-ethylbenzyl)amine;CS-0296639;EN300-167297;TERT-BUTYL[(4-ETHYLPHENYL)METHYL]AMINE;N-(4-Ethylbenzyl)-2-methyl-2-propanamine x1hcl;AN-465/41521555

Chemical Property of N-[(4-ethylphenyl)methyl]-2-methylpropan-2-amine

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Boiling Point: 260.5°C at 760 mmHg
• Flash Point: 100.2°C
• PSA: 12.03000
• Density: 0.896g/cm³
• LogP: 3.52800
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

N-(4-ethylbenzyl)-2-methyl-2-propanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CNC(C)(C)C

Technology Process of N-[(4-ethylphenyl)methyl]-2-methylpropan-2-amine

There total 1 articles about N-[(4-ethylphenyl)methyl]-2-methylpropan-2-amine 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:

tert-butylamine (75-64-9) + 4-ethylbenzylaldehyde (4748-78-1) → tert-Butyl-(4-ethyl-benzyl)-amine (137957-41-6)

Guidance literature:

tert-butylamine; 4-ethylbenzylaldehyde; In methanol; at 20 ℃; for 3h;

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 1h;

DOI:10.1002/anie.202113464

Reference yield: 98.7%

tert-Butyl-(4-ethyl-benzyl)-amine (137957-41-6) → N-tert-butyl α-(4-ethylphenyl) nitrone (85623-71-8,137957-42-7)

Guidance literature:

With 3,3-dimethyldioxirane;

DOI:10.1002/mrc.1260290917

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + potassium ethyl xanthogenate (140-89-6) + tert-Butyl-(4-ethyl-benzyl)-amine (137957-41-6) → C17H25NO2S2

Guidance literature:

bis(trichloromethyl) carbonate; tert-Butyl-(4-ethyl-benzyl)-amine; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h;

potassium ethyl xanthogenate; In acetonitrile; at 0 ℃; for 0.25h;

DOI:10.1002/anie.202113464

upstream raw materials:

tert-butylamine

4-ethylbenzylaldehyde

Downstream raw materials:

N-tert-butyl α-(4-ethylphenyl) nitrone

Refernces