3-Methoxy-N-methylaniline

Base Information

• Chemical Name: 3-Methoxy-N-methylaniline
• CAS No.: 14318-66-2
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 29214200
• European Community (EC) Number: 238-259-9
• DSSTox Substance ID: DTXSID80162337
• Nikkaji Number: J216.962B
• Wikidata: Q72490298
• Mol file: 14318-66-2.mol

Synonyms:3-Methoxy-N-methylaniline;14318-66-2;N-Methyl-m-anisidine;Benzenamine, 3-methoxy-N-methyl-;N-methyl-3-methoxyaniline;EINECS 238-259-9;N-methyl m-anisidine;N-methy-3-methoxyaniline;SCHEMBL361514;(3-methoxy-phenyl)-methyl-amine;DTXSID80162337;3-Methoxy-N-methylaniline, 97%;N-(3-methoxyphenyl)-N-methylamine;AKOS000257641;AS-58643;CS-0301378;FT-0637055;EN300-59268;E83956;A885005;J-007760

Chemical Property of 3-Methoxy-N-methylaniline

Chemical Property:

• Appearance/Colour: Brown liquid
• Vapor Pressure: 0.0416mmHg at 25°C
• Refractive Index: n20/D 1.5690(lit.)
• Boiling Point: 238.8 °C at 760 mmHg
• PKA: 4.59±0.25(Predicted)
• Flash Point: 88.7 °C
• PSA: 21.26000
• Density: 1.032 g/cm³
• LogP: 1.80990
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxy-N-methylaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 37/39-36/37-24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC1=CC(=CC=C1)OC
• Uses: A reactant used in the attachments of templates, and amino acid ligands for conformational bias amplification.

Technology Process of 3-Methoxy-N-methylaniline

There total 33 articles about 3-Methoxy-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: 99.0%

methanol (67-56-1) + m-Anisidine (536-90-3,918666-97-4) → 3-methoxy-N-methylaniline (14318-66-2)

Guidance literature:

With potassium tert-butylate; C₄₉H₅₀Cl₂Ir₂N₅O⁽¹⁺⁾*F₆P^(1-); at 130 ℃; for 4h;

DOI:10.1021/acs.organomet.0c00464

Reference yield: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + m-Anisidine (536-90-3,918666-97-4) → 3-methoxy-N-methylaniline (14318-66-2)

Guidance literature:

formaldehyd; m-Anisidine; With sodium methylate; In methanol; at 20 ℃; Molecular sieve;

With methanol; sodium tetrahydroborate; for 4h; Reflux;

Reference yield: 94.0%

methanol (67-56-1) + 3-nitroanisole (555-03-3) → 3-methoxy-N-methylaniline (14318-66-2)

Guidance literature:

With potassium tert-butylate; C₄₉H₅₀Cl₂Ir₂N₅O⁽¹⁺⁾*F₆P^(1-); at 130 ℃; for 10h;

DOI:10.1021/acs.organomet.0c00464

upstream raw materials:

m-Anisidine

dimethyl sulfate

methyl iodide

3-methoxy-N,N-dimethylaniline

Downstream raw materials:

N-(3-methoxyphenyl)-N-methylcarbamoyl chloride

(3-Methoxy-phenyl)-methyl-thiocarbamic acid O-(1,2,3,4-tetrahydro-1,4-methano-naphthalen-6-yl) ester

3-(N-Methyl-N-m-methoxyphenylamino)-N',N'-diaethyl-propionamid

3-(N-Methyl-N-m-methoxyphenylamino)-propionsaeure-aethylester