N-(Ethoxymethyl)-N-methylaniline

Base Information

• Chemical Name: N-(Ethoxymethyl)-N-methylaniline
• CAS No.: 207291-40-5
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.235
• European Community (EC) Number: 623-224-6
• DSSTox Substance ID: DTXSID10392100
• Nikkaji Number: J1.187.087B
• Wikidata: Q82190043
• Mol file: 207291-40-5.mol

Synonyms:N-(Ethoxymethyl)-N-methylaniline;207291-40-5;Benzenamine, N-(ethoxymethyl)-N-methyl-;starbld0030242;Methyl(ethoxymethyl)phenylamine;SCHEMBL5145731;DTXSID10392100;AKOS024386568;N-(Ethoxymethyl)-N-methylaniline, 97%;J-013556

Chemical Property of N-(Ethoxymethyl)-N-methylaniline

Chemical Property:

• Vapor Pressure: 2.26E-07mmHg at 25°C
• Refractive Index: n20/D 1.529(lit.)
• Boiling Point: 110-115?°C10?mm Hg(lit.)
• PKA: 3.42±0.50(Predicted)
• Flash Point: 147?°F
• Density: 0.99?g/mL?at 25?°C(lit.)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

N-(Ethoxymethyl)-N-methylaniline 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CCOCN(C)C1=CC=CC=C1

Technology Process of N-(Ethoxymethyl)-N-methylaniline

There total 1 articles about N-(Ethoxymethyl)-N-methylaniline 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: 72.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethanol (64-17-5) + N-methylaniline (100-61-8) → N-(ethoxyymethyl)-N-methylbenzamine (207291-40-5)

Guidance literature:

for 6h; Heating;

Reference yield: 91.0%

chloro-diphenylphosphine (1079-66-9,74391-44-9) + N-(ethoxyymethyl)-N-methylbenzamine (207291-40-5) → <(methylphenylamino)methyl>diphenylphosphine oxide (76527-75-8)

Guidance literature:

In tetrahydrofuran; for 0.5h;

Reference yield:

N-(ethoxyymethyl)-N-methylbenzamine (207291-40-5) → 1,3-dimethylindole (875-30-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 91 percent

2: BuLi / tetrahydrofuran; hexane / -78 °C

3: p-TsOH / xylene / Heating

With n-butyllithium; toluene-4-sulfonic acid; In tetrahydrofuran; hexane; xylene;

upstream raw materials:

formaldehyd

ethanol

N-methylaniline

Downstream raw materials:

<(methylphenylamino)methyl>diphenylphosphine oxide

(2E,4E,6E)-ethyl 7-(N-methylanilino)heptatrienoate

1,3-dimethylindole

3-(4-methoxyphenyl)-1-methyl-1H-indole

Refernces

• 1、 Broekhof, N. L. J. M.,Elburg, P. van,Gen, A. van der. "The synthesis of α-amino-substituted diphenylphosphine oxides". . p. 312 - 316. Retrieved 2007/10/02.