4-Methoxyphenethylamine

Base Information

• Chemical Name: 4-Methoxyphenethylamine
• CAS No.: 55-81-2
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 29222900
• European Community (EC) Number: 200-245-5
• NSC Number: 43687
• UNII: UCE8P23XWF
• DSSTox Substance ID: DTXSID6058764
• Nikkaji Number: J74.924I
• Wikidata: Q27225715
• Metabolomics Workbench ID: 66940
• ChEMBL ID: CHEMBL101036
• Mol file: 55-81-2.mol

Synonyms:4-methoxyphenethylamine;O-methyltyramine;O-methyltyramine hydrochloride;O-methyltyramine sulfate (2:1);p-methoxyphenethylamine;p-methoxyphenylethylamine

Chemical Property of 4-Methoxyphenethylamine

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.0165mmHg at 25°C
• Melting Point: 249-251°C
• Refractive Index: n20/D 1.538(lit.)
• Boiling Point: 255.2 °C at 760 mmHg
• PKA: 9.96±0.10(Predicted)
• Flash Point: 105.3 °C
• PSA: 35.25000
• Density: 1.008 g/cm³
• LogP: 1.89670
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methoxyphenyl)ethylamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,T
• Statements: 34
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCN
• Uses: 4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.

Technology Process of 4-Methoxyphenethylamine

There total 55 articles about 4-Methoxyphenethylamine 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: 100.0%

benzyl 4-methoxyphenethylcarbamate (198756-72-8) → 4-Methoxyphenethylamine (55-81-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 1h;

DOI:10.1002/chem.200801989

Reference yield: 96.0%

lysichitalexin (31236-71-2) → 4-Methoxyphenethylamine (55-81-2)

Guidance literature:

With samarium diiodide; water; isopropylamine; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2007.05.105

Reference yield: 95.0%

N-[2-(4-methoxy-phenyl)-ethyl]-2-nitro-benzenesulfonamide (349139-49-7) → 4-Methoxyphenethylamine (55-81-2)

Guidance literature:

With potassium carbonate; thiophenol; In acetonitrile; at 50 ℃;

DOI:10.1039/b418168a

upstream raw materials:

ethyleneimine

methoxybenzene

4-Methoxystyrene

4-methoxymandelonitrile

Downstream raw materials:

2-[2-(4-methoxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione

N-(4-methoxyphenylethyl)acetamide

3-methoxy-benzoic acid-(4-methoxy-phenethylamide)

N-(benzyl)-[2-(4'-methoxy)phenyl]ethylamine

Refernces

• 1、 Amberchan, Gabriella,Snelling, Rachel A.,Moya, Enrique,Landi, Madison,Lutz, Kyle,Gatihi, Roxanne,Singaram, Bakthan. "Reaction of Diisobutylaluminum Borohydride, a Binary Hydride, with Selected Organic Compounds Containing Representative Functional Groups". supporting information. p. 6207 - 6227. Retrieved 2021/05/06.
• 2、 Betori, Rick C.,May, Catherine M.,Scheidt, Karl A.. "Combined Photoredox/Enzymatic C?H Benzylic Hydroxylations". supporting information. p. 16490 - 16494. Retrieved 2019/11/03.