2-(2-Methoxy-5-methylphenyl)ethanamine

Base Information

• Chemical Name: 2-(2-Methoxy-5-methylphenyl)ethanamine
• CAS No.: 46035-71-6
• Molecular Formula: C10H16NO+
• Molecular Weight: 165.2322
• Hs Code.: 2922199090
• European Community (EC) Number: 967-047-5
• ChEMBL ID: CHEMBL4542302
• DSSTox Substance ID: DTXSID30407169
• Wikidata: Q82212408
• Mol file: 46035-71-6.mol

Synonyms:2-(2-methoxy-5-methylphenyl)ethanamine;46035-71-6;2-(2-methoxy-5-methylphenyl)ethan-1-amine;Acrylicacid;SCHEMBL8708761;CHEMBL4542302;DTXSID30407169;HMS1750K20;MFCD07329996;AKOS000118262;CS-0234323;EN300-14079;Z96092050

Chemical Property of 2-(2-Methoxy-5-methylphenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.0159mmHg at 25°C
• Boiling Point: 255.9°Cat760mmHg
• Flash Point: 105.6°C
• PSA: 35.25000
• Density: 0.994g/cm³
• LogP: 2.20510
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

2-(2-methoxy-5-methylphenyl)ethan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)CCN

Technology Process of 2-(2-Methoxy-5-methylphenyl)ethanamine

There total 6 articles about 2-(2-Methoxy-5-methylphenyl)ethanamine 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:

(2-methoxy-5-methylphenyl)-acetonitrile (7048-42-2) → 2-(2-methoxy-5-methylphenyl)ethylamine (46035-71-6)

Guidance literature:

With ammonium hydroxide; nickel; In ethanol; at 40 - 50 ℃; for 48h;

DOI:10.1021/jm00012a004

Reference yield:

methyl 2-methoxy-5-methylbenzoate (63113-79-1) → 2-(2-methoxy-5-methylphenyl)ethylamine (46035-71-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 87 percent / LiAlH₄ / tetrahydrofuran / 20 h / Heating

2: 69 percent / thionyl chloride, pyridine / toluene / 24 h / Ambient temperature

3: 91 percent / KI / dimethylsulfoxide / 20 h / Ambient temperature

4: aq. NH₃, Raney Ni / ethanol / 48 h / 40 - 50 °C

With pyridine; ammonium hydroxide; lithium aluminium tetrahydride; thionyl chloride; nickel; potassium iodide; In tetrahydrofuran; ethanol; dimethyl sulfoxide; toluene;

DOI:10.1021/jm00012a004

Reference yield:

(2-methoxy-5-methylphenyl)methanol (7048-40-0) → 2-(2-methoxy-5-methylphenyl)ethylamine (46035-71-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 69 percent / thionyl chloride, pyridine / toluene / 24 h / Ambient temperature

2: 91 percent / KI / dimethylsulfoxide / 20 h / Ambient temperature

3: aq. NH₃, Raney Ni / ethanol / 48 h / 40 - 50 °C

With pyridine; ammonium hydroxide; thionyl chloride; nickel; potassium iodide; In ethanol; dimethyl sulfoxide; toluene;

DOI:10.1021/jm00012a004

upstream raw materials:

(2-methoxy-5-methylphenyl)-acetonitrile

methyl 2-methoxy-5-methylbenzoate

(2-methoxy-5-methylphenyl)methanol

2-methoxy-5-methylbenzyl chloride

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