2-(3-methoxyphenyl)-N-methylethanamine

Base Information

• Chemical Name: 2-(3-methoxyphenyl)-N-methylethanamine
• CAS No.: 33543-62-3
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• European Community (EC) Number: 251-570-4
• UNII: TRX7HA5YYG
• DSSTox Substance ID: DTXSID20187201
• Nikkaji Number: J308.501E
• Wikidata: Q83058789
• ChEMBL ID: CHEMBL4073256
• Mol file: 33543-62-3.mol

Synonyms:2-(3-methoxyphenyl)-N-methylethanamine;33543-62-3;[2-(3-Methoxy-phenyl)-ethyl]-methyl-amine;m-Methoxy-N-methylphenethylamine;[2-(3-methoxyphenyl)ethyl](methyl)amine;TRX7HA5YYG;EINECS 251-570-4;2-(3-methoxyphenyl)-N-methylethan-1-amine;CHEMBL4073256;N-[2-(3-Methoxyphenyl)ethyl]-N-methylamine;3-Methoxy-N-methylbenzeneethanamine;[2-(3-methoxyphenyl)ethyl]methylamine;(2-(3-METHOXYPHENYL)ETHYL)METHYLAMINE;benzeneethanamine, 3-methoxy-n-methyl-;UNII-TRX7HA5YYG;SCHEMBL680560;DTXSID20187201;3-Methoxy-N-methyl-benzeneethanamine;BDBM50246629;MFCD00870495;AKOS009345086;SB36671;2-(3-Methoxy-phenyl)-ethyl-methyl-amine;TS-00133;CS-0451189;FT-0730227;EN300-1213034;A821825;F1911-1798

Chemical Property of 2-(3-methoxyphenyl)-N-methylethanamine

Chemical Property:

• Vapor Pressure: 0.0213mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 250.8 °C at 760 mmHg
• PKA: 10.31±0.10(Predicted)
• Flash Point: 99.1 °C
• PSA: 21.26000
• Density: 0.963 g/cm³
• LogP: 1.84800
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-[2-(3-Methoxyphenyl)ethyl]-N-methylamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC1=CC(=CC=C1)OC

Technology Process of 2-(3-methoxyphenyl)-N-methylethanamine

There total 12 articles about 2-(3-methoxyphenyl)-N-methylethanamine 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: 94.0%

ethyl-N-<2-(3-methoxyphenyl)ethyl>-carbamate (33543-63-4) → 2-(3-methoxyphenyl)-N-methylethan-1-amine (33543-62-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 25 ℃;

Reference yield: 88.0%

3-methoxyphenethyl bromide (2146-61-4) + methylamine (74-89-5) → 2-(3-methoxyphenyl)-N-methylethan-1-amine (33543-62-3)

Guidance literature:

In tetrahydrofuran; water; at 20 ℃;

Reference yield: 84.0%

N-methyl-(3-methoxyphenyl)acetamide (53102-68-4) → 2-(3-methoxyphenyl)-N-methylethan-1-amine (33543-62-3)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 18h; Heating;

DOI:10.1016/S0968-0896(00)00110-3

upstream raw materials:

benzylidene-(3-methoxy-phenethyl)-amine

dimethyl sulfate

2-(3-methoxyphenyl)-1-ethanamine

methyl iodide

Downstream raw materials:

anapamil

(R)-1-(3-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline

(S)-9-hydroxy-3-methoxyberbine

2-(3-benzyloxyphenyl)-N-(3-methoxyphenethyl)-N-methylacetamide

Refernces

• 1、 Cinelli, Maris A.,Li, Huiying,Pensa, Anthony V.,Kang, Soosung,Roman, Linda J.,Martásek, Pavel,Poulos, Thomas L.,Silverman, Richard B.. "Phenyl ether- and aniline-containing 2-aminoquinolines as potent and selective inhibitors of neuronal nitric oxide synthase". . p. 8694 - 8712. Retrieved 2015/11/25.
• 2、 Schrittwieser, Joerg H.,Resch, Verena,Sattler, Johann H.,Lienhart, Wolf-Dieter,Durchschein, Katharina,Winkler, Andreas,Gruber, Karl,MacHeroux, Peter,Kroutil, Wolfgang. "Biocatalytic enantioselective oxidative C-C coupling by aerobic C-H activation". supporting information; experimental part. p. 1068 - 1071. Retrieved 2011/04/22.