4-Methoxy-N-methylbenzeneethanamine

Base Information

• Chemical Name: 4-Methoxy-N-methylbenzeneethanamine
• CAS No.: 4091-50-3
• Molecular Formula: C10H15 N O
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• European Community (EC) Number: 808-145-9
• UNII: J18PF78JWQ
• DSSTox Substance ID: DTXSID80193904
• Nikkaji Number: J34.548B
• Wikidata: Q27145146
• Mol file: 4091-50-3.mol

Synonyms:Agent 48 80;Agent 48-80;Agent 4880;BW 48 80;BW 48-80;BW 4880;Compound 48 80;Compound 48-80;Compound 4880;p Methoxy N methylphenethylamine;p-Methoxy-N-methylphenethylamine;Preparation 48 80;Preparation 48-80;Preparation 4880

Chemical Property of 4-Methoxy-N-methylbenzeneethanamine

Chemical Property:

• Vapor Pressure: 0.0208mmHg at 25°C
• Refractive Index: 1.5220 to 1.5260
• Boiling Point: 251.2°Cat760mmHg
• PKA: 10.52±0.10(Predicted)
• Flash Point: 99.3°C
• PSA: 21.26000
• Density: 0.963g/cm³
• LogP: 1.84800
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

N-Methyl4-Methoxyphenethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC1=CC=C(C=C1)OC
• Description: This alkaloid has also been discovered recently in a further Coryphantha species, namely C. bumamma.

Technology Process of 4-Methoxy-N-methylbenzeneethanamine

There total 19 articles about 4-Methoxy-N-methylbenzeneethanamine 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%

ethyl-N-<2-(4-methoxyphenyl)ethyl>-carbamate (136390-01-7) → N-methylhomoanisylamine (4091-50-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

Reference yield: 93.0%

2-4-methoxyphenylethylcarbamic acid methyl ester (91247-71-1) → N-methylhomoanisylamine (4091-50-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; Reflux;

DOI:10.1021/acs.jmedchem.0c01441

Reference yield: 73.0%

methylamine (74-89-5) + 1-(2-Chloroethyl)-4-methoxybenzene (18217-00-0) → N-methylhomoanisylamine (4091-50-3)

Guidance literature:

In methanol; for 168h; Ambient temperature;

DOI:10.1248/cpb.32.4185

upstream raw materials:

benzaldehyde

4-Methoxyphenethylamine

4-methoxyphenethyl bromide

methylamine

Downstream raw materials:

herclavine

1-[7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl]-3-[N-methyl-N-(2-{4-methoxy-phenyl}-ethyl)-amino]-propane hydrochloride

2-cyano-2-diazo-N-(4-methoxyphenethyl)-N-methylacetamide

2-cyano-N-(4-methoxyphenethyl)-N-methylacetamide

Refernces

• 1、 Fan, Shuai,Ding, Yongzheng,Chen, Xiaoxi,Gao, Yuzhen,Fu, Lei,Li, Shangda,Li, Gang. "Palladium-Catalyzed C(sp2)-H Olefination of Free Primary and Secondary 2-Phenylethylamines: Access to Tetrahydroisoquinolines". . p. 13003 - 13012. Retrieved 2019/10/11.
• 2、 Winterton, Sarah E.,Capota, Emanuela,Wang, Xiaoyu,Chen, Hong,Mallipeddi, Prema L.,Williams, Noelle S.,Posner, Bruce A.,Nijhawan, Deepak,Ready, Joseph M.. "Discovery of Cytochrome P450 4F11 Activated Inhibitors of Stearoyl Coenzyme A Desaturase". . p. 5199 - 5221. Retrieved 2018/06/13.