2,4,6-Trimethoxyamphetamine

Base Information

• Chemical Name: 2,4,6-Trimethoxyamphetamine
• CAS No.: 15402-79-6
• Molecular Formula: C12H19 N O3
• Molecular Weight: 225.288
• Hs Code.: 2922299090
• UNII: 2X84DCO6GA
• DSSTox Substance ID: DTXSID40874363
• Nikkaji Number: J273.469I
• Wikidata: Q27255748
• ChEMBL ID: CHEMBL34108
• Mol file: 15402-79-6.mol

Synonyms:2,4,6-TRIMETHOXYAMPHETAMINE;15402-79-6;TMA-6;(+/-)-2,4,6-Trimethoxyamphetamine;benzeneethanamine, 2,4,6-trimethoxy-alpha-methyl-;UNII-2X84DCO6GA;2,4,6-Trimethoxyamphetamine, DL-;2X84DCO6GA;J273.469I;1-(2,4,6-trimethoxyphenyl)propan-2-amine;CHEMBL34108;Phenethylamine, 2,4,6-trimethoxy-alpha-methyl-;2,4,6-TRIMETHOXYAMPHETAMIN;22199-16-2;Phenethylamine, 2,4,6-trimethoxy-.alpha.-methyl-;Benzeneethanamine, 2,4,6-trimethoxy-.alpha.-methyl-;Benzenethanamine, 2,4,6-trimethoxy-alpha-methyl-, (+-)-;SCHEMBL394380;Benzeneethanamine, 2,4,6-trimethoxy-a-methyl- (9CI);DTXSID40874363;(d,l)-2,4,6-Trimethoxyamphetamine;2,4,6-Trimethoxyphenylisopropylamine;BDBM50164328;AKOS009377303;DL-2,4,6-TRIMETHOXYAMPHETAMINE;1-Methyl-2-(2,4,6-trimethoxy-phenyl)-ethylamine;1-Methyl-2-(2,4,6-trimethoxyphenyl)ethylamine #;Q27255748;(+/-)1-Methyl-2-(2,4,6-trimethoxy-phenyl)-ethylamine;Phenethylamine, 2,4,6-trimethoxy-a-methyl- (6CI,8CI);Benzeneethanamine, 2,4,6-trimethoxy-.alpha.-methyl-, (.+.)-;Benzeneethanamine,2,4,6-trimethoxy-.alpha.-methyl-(.+/-.)-;Benzenethanamine, 2,4,6-trimethoxy-.alpha.-methyl-(.+/-.)-

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Chemical Property of 2,4,6-Trimethoxyamphetamine

Chemical Property:

• Vapor Pressure: 0.000128mmHg at 25°C
• Melting Point: 200 °C
• Boiling Point: 334.4°Cat760mmHg
• PKA: 9.54±0.10(Predicted)
• Flash Point: 159.1°C
• PSA: 53.71000
• Density: 1.048g/cm³
• LogP: 2.30240
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 225.13649347
• Heavy Atom Count: 16
• Complexity: 187

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=C(C=C(C=C1OC)OC)OC)N

Technology Process of 2,4,6-Trimethoxyamphetamine

There total 3 articles about 2,4,6-Trimethoxyamphetamine 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:

1-(2,4,6-trimethoxyphenyl)-2-nitro-1-propene (78904-45-7) → 2,4,6-trimethoxyamphetamine (15402-79-6)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/jo01366a003

Reference yield:

2,4,6-trimethoxybenzaldehyde (830-79-5) → 2,4,6-trimethoxyamphetamine (15402-79-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / NH₄OAc / Heating

2: LiAlH₄ / tetrahydrofuran / 36 h / Heating

With lithium aluminium tetrahydride; ammonium acetate; In tetrahydrofuran;

DOI:10.1021/jm0493109

Reference yield:

1,2,3-trimethoxybenzene (621-23-8) → 2,4,6-trimethoxyamphetamine (15402-79-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / POCl₃ / 40 - 50 °C

2: 82 percent / NH₄OAc / Heating

3: LiAlH₄ / tetrahydrofuran / 36 h / Heating

With lithium aluminium tetrahydride; ammonium acetate; trichlorophosphate; In tetrahydrofuran; 1: Vilsmeier reaction;

DOI:10.1021/jm0493109

upstream raw materials:

1-(2,4,6-trimethoxyphenyl)-2-nitro-1-propene

1,2,3-trimethoxybenzene

2,4,6-trimethoxybenzaldehyde

Refernces

• 1、 Gallardo-Godoy, Alejandra,Fierro, Angélica,McLean, Thomas H.,Castillo, Mariano,Cassels, Bruce K.,Reyes-Parada, Miguel,Nichols, David E.. "Sulfur-substituted α-alkyl phenethylamines as selective and reversible MAO-A inhibitors: Biological activities, CoMFA analysis, and active site modeling". . p. 2407 - 2419. Retrieved 2007/10/03.