1-(3,4-Dimethoxyphenyl)ethanamine

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)ethanamine
• CAS No.: 50919-08-9
• Molecular Formula: C10H15NO2
• Molecular Weight: 181.235
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID00965201
• Nikkaji Number: J1.268.288C
• ChEMBL ID: CHEMBL4522762
• Mol file: 50919-08-9.mol

Synonyms:1-(3,4-dimethoxyphenyl)ethanamine;50919-08-9;1-(3,4-Dimethoxy-phenyl)-ethylamine;1-(3,4-dimethoxyphenyl)ethan-1-amine;MFCD00561923;Benzenemethanamine, 3,4-dimethoxy-alpha-methyl-, (alphaS)-;MFCD06761896;MFCD06761897;1-(3,4-dimethoxyphenyl)ethylamine;(R)-3,4-Dimethoxy-alpha-methylbenzylamine;1-amino-1-(3,4-dimethoxyphenyl)-ethane;Benzenemethanamine, 3,4-dimethoxy-alpha-methyl-, (alphaR)-;Oprea1_569772;Oprea1_810410;SCHEMBL1719900;CHEMBL4522762;DTXSID00965201;OEPFPKVWOOSTBV-UHFFFAOYSA-N;1-(3',4'dimethoxyphenyl)ethylamine;1-(3,4-dimethoxyphenyl)-ethylamine;STK346725;alpha-Methyl-3,4-dimethoxybenzylamine;1-(3',4'-dimethoxyphenyl)ethylamine;AKOS000124282;AKOS016040495;AB90503;1-(3,4-dimethoxyphenyl)-1-ethanamine;MS-20589;SY026585;SY026586;(S)-3,4-Dimethoxy-alpha-methylbenzylamine;BB 0217818;CS-0106393;FT-0677976;FT-0694267;FT-0698765;EN300-35205;N10417;AB00999662-01

Chemical Property of 1-(3,4-Dimethoxyphenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.00623mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 272°C at 760 mmHg
• PKA: 9.18±0.10(Predicted)
• Flash Point: 128.2°C
• PSA: 44.48000
• Density: 1.037g/cm³
• LogP: 2.42380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

1-(3,4-Dimethoxyphenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=C(C=C1)OC)OC)N

Technology Process of 1-(3,4-Dimethoxyphenyl)ethanamine

There total 6 articles about 1-(3,4-Dimethoxyphenyl)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: 95.0%

veratronitrile (2024-83-1) + methylmagnesium bromide (75-16-1) → 1-(3',4'-Dimethoxyphenyl)ethylamine (50919-08-9)

Guidance literature:

veratronitrile; methylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 100 ℃; for 0.166667h; Microwave irradiation;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; diethyl ether; for 0.0833333h;

DOI:10.1016/j.tetlet.2009.04.081

Reference yield: 93.5%

→ 1-(3',4'-Dimethoxyphenyl)ethylamine (50919-08-9)

Guidance literature:

With ammonia; sodium acetate; zinc; In ethanol; for 3h; Reflux;

Reference yield: 90.0%

1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 1-(3',4'-Dimethoxyphenyl)ethylamine (50919-08-9)

Guidance literature:

With 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; ammonium formate; In methanol; at 80 ℃; for 12h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201303541

upstream raw materials:

1-(3,4-Dimethoxy-phenyl)-ethylamine; compound with sulfuric acid

1-(3,4-dimethoxyphenyl)ethanone

N-(1-(3,4-dimethoxyphenyl)ethyl)formamide

veratronitrile

Downstream raw materials:

1-Phthalimido-1-(3',4'-dimethoxyphenyl)ethane

C₂₂H₂₈N₆O₃

1-benzylamino-1-(3,4-dimethoxyphenyl)-ethane

1-(R)-(3,4-dimethoxyphenyl)ethylamine

Refernces

• 1、 -. "A su ammonia amide carbamate derivative and application thereof". Paragraph 0090; 0110; 0130. . Retrieved 2017/09/02.
• 2、 -. "SYNTHESIS OF AMIDES AND AMINES FROM ALDEHYDES OR KETONES BY HETEROGENEOUS METAL CATALYSIS". Page/Page column 22. . Retrieved 2016/07/05.