2-Methoxy-1-phenylethanamine

Base Information

• Chemical Name: 2-Methoxy-1-phenylethanamine
• CAS No.: 174636-76-1
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• European Community (EC) Number: 846-482-3
• ChEMBL ID: CHEMBL4558159
• Mol file: 174636-76-1.mol

Synonyms:2-methoxy-1-phenylethanamine;174636-76-1;2-methoxy-1-phenylethan-1-amine;(R,S)-2-Methoxy-1-phenylethylamine;SCHEMBL1419721;CHEMBL4558159;MFCD09736653;AKOS005217075;SB75820;SB76650;SY025161;WS-00776;FT-0690243;FT-0762266;EN300-124522;W18573;Z271013088

Chemical Property of 2-Methoxy-1-phenylethanamine

Chemical Property:

• Boiling Point: 81 - 82 °C (1.5 mmHg)
• PKA: 8.90±0.10(Predicted)
• PSA: 35.25000
• Density: 1.011±0.06 g/cm3(Predicted)
• LogP: 2.03310
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

99.90% ^*data from raw suppliers

2-Methoxy-1-phenylethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C1=CC=CC=C1)N

Technology Process of 2-Methoxy-1-phenylethanamine

There total 3 articles about 2-Methoxy-1-phenylethanamine 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: 92.0%

→ (R,S)-2-methoxy-1-phenylethylamine (174636-76-1)

Guidance literature:

With ammonia; hydrogen; In methanol; at 90 ℃; for 4h; under 15001.5 Torr; Autoclave;

Reference yield: 82.0%

methyl iodide (74-88-4) + Phenylglycinol (20989-17-7,56613-80-0,71006-16-1,7568-92-5,188586-38-1) → (R,S)-2-methoxy-1-phenylethylamine (174636-76-1)

Guidance literature:

Phenylglycinol; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 2h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; mineral oil; at 20 ℃; for 4h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2012.07.020

Reference yield:

methoxymethyl phenyl ketone (4079-52-1) → (R,S)-2-methoxy-1-phenylethylamine (174636-76-1)

Guidance literature:

methoxymethyl phenyl ketone; With titanium(IV) isopropylate; ammonia; In ethanol;

With sodium tetrahydroborate; In ethanol; at 20 ℃;

upstream raw materials:

methyl iodide

Phenylglycinol

methoxymethyl phenyl ketone

Downstream raw materials:

N-(benzoyloxy)-2-methoxy-1-phenylethanamine

N-hydroxy-2-methoxy-1-phenylethanamine

N-ethylidene-2-methoxy-1-phenylethanamine N-oxide

N-propylidene-2-methoxy-1-phenylethanamine N-oxide