1-(3,4,5-Trimethoxyphenyl)ethanamine

Base Information

• Chemical Name: 1-(3,4,5-Trimethoxyphenyl)ethanamine
• CAS No.: 121082-99-3
• Molecular Formula: C11H17NO3
• Molecular Weight: 211.261
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID30378123
• Mol file: 121082-99-3.mol

Synonyms:1-(3,4,5-trimethoxyphenyl)ethanamine;121082-99-3;1-(3,4,5-Trimethoxy-phenyl)-ethylamine;MFCD02656660;1-(3,4,5-trimethoxyphenyl)ethanamine hydrochloride;Benzenemethanamine, 3,4,5-trimethoxy-alpha-methyl-, (S)- (9CI);1-(3,4,5-trimethoxyphenyl)ethylamine;1-(3,4,5-trimethoxyphenyl)ethan-1-amine;SCHEMBL1134650;DTXSID30378123;WYQUYSRUIVFEII-UHFFFAOYSA-N;STK487808;AKOS000123299;AKOS016345319;SB79219;1-(3,4,5-trimethoxyphenyl)-ethylamine;EN300-39668;N12616;BENZENEMETHANAMINE,3,4,5-TRIMETHOXY-A-METHYL-;Z330914644

Chemical Property of 1-(3,4,5-Trimethoxyphenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.000801mmHg at 25°C
• Boiling Point: 305.8 °C at 760 mmHg
• PKA: 9.06±0.10(Predicted)
• Flash Point: 140.7 °C
• PSA: 53.71000
• Density: 1.063 g/cm³
• LogP: 2.43240
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.12084340
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

[1-(3,4,5-Trimethoxyphenyl)ethyl]amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3,4,5-Trimethoxyphenyl)ethanamine

There total 3 articles about 1-(3,4,5-Trimethoxyphenyl)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: 73.0%

methyl (3,4,5-trimethoxyphenyl) ketone (1136-86-3) → 1-(3,4,5-trimethoxyphenyl)ethylamine (121082-99-3)

Guidance literature:

methyl (3,4,5-trimethoxyphenyl) ketone; With titanium(IV) isopropylate; ammonia; In ethanol; at 20 ℃; for 6h; Inert atmosphere;

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃;

With ammonia; In ethanol; water;

Reference yield:

3',4',5'-trimethoxyacetophenone oxime → 1-(3,4,5-trimethoxyphenyl)ethylamine (121082-99-3)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; water;

Reference yield:

→ 1-(3,4,5-trimethoxyphenyl)ethylamine (121082-99-3)

Guidance literature:

With sodium amalgam; ethanol; acetic acid; at 40 - 50 ℃;

upstream raw materials:

methyl (3,4,5-trimethoxyphenyl) ketone

Downstream raw materials:

C₂₄H₂₈N₂O₆S₂

Refernces

• 1、 -. "NOVEL MODULATORS OF PROTEIN KINASE SIGNALING". Page/Page column 59-60. . Retrieved 2009/12/28.