2,5-Dimethoxyphenethylamine

Base Information

• Chemical Name: 2,5-Dimethoxyphenethylamine
• CAS No.: 3600-86-0
• Molecular Formula: C10H15NO2
• Molecular Weight: 181.235
• Hs Code.: 29222990
• European Community (EC) Number: 625-021-8
• NSC Number: 168525
• UNII: 9A8XF4GA0X
• DSSTox Substance ID: DTXSID80189564
• Nikkaji Number: J387.184C
• Wikipedia: 2C-H
• Wikidata: Q4633049
• ChEMBL ID: CHEMBL287047
• Mol file: 3600-86-0.mol

Synonyms:2,5-Dimethoxyphenethylamine;3600-86-0;2-(2,5-Dimethoxyphenyl)ethanamine;2-(2,5-Dimethoxy-phenyl)-ethylamine;benzeneethanamine, 2,5-dimethoxy-;2-(2,5-Dimethoxyphenyl)Ethylamine;2C-H;UNII-9A8XF4GA0X;9A8XF4GA0X;CHEMBL287047;NSC-168525;2,5-Dimethoxyphenethyl amine;2-(2,5-DIMETHOXY-PHENYL)-ETHYLAMINE HCL;C(CN)c1cc(OC)ccc1OC;SCHEMBL479514;DEA No. 7517;(2,5-Dimethoxyphenyl)ethylamine;DTXSID80189564;CHEBI:125507;2,5-Dimethoxyphenethylamine, 97%;BCP10409;BDBM50026778;NSC168525;2-(2,5-Dimethoxyphenyl)ethanamine #;AKOS000162038;AC-6627;NSC 168525;PHENETHYLAMINE, 2,5-DIMETHOXY-;A6257;FT-0667267;2-(2-AMINOETHYL)-1,4-DIMETHOXYBENZENE;Q4633049;BRD-K20985754-001-01-9

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Chemical Property of 2,5-Dimethoxyphenethylamine

Chemical Property:

• Appearance/Colour: light yellow to colourless liquid
• Melting Point: 1.041oC
• Refractive Index: n20/D 1.5424(lit.)
• Boiling Point: 301.5 °C at 760 mmHg
• PKA: 9.72±0.10(Predicted)
• Flash Point: 138.7 °C
• PSA: 44.48000
• Density: 1.041 g/cm³
• LogP: 1.90530
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 26-37/39-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)CCN

Technology Process of 2,5-Dimethoxyphenethylamine

There total 11 articles about 2,5-Dimethoxyphenethylamine 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: 76.0%

(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene (40276-11-7) → 2,5-dimethoxyphenethylamine (3600-86-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1021/jm00370a014

Reference yield: 75.0%

β-dimethoxy-2,5 phenyl nitro ethylene (108536-18-1) → 2,5-dimethoxyphenethylamine (3600-86-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 75 - 80 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.152804

Reference yield:

2,5-dimethoxybenzaldehyde (93-02-7) → 2,5-dimethoxyphenethylamine (3600-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaOH, 2.) 4N aq. HCl / 1.) H₂O, methanol, -3 deg C, 15 min

2: LiAlH₄ / tetrahydrofuran / 2 h / Heating

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm950639r

upstream raw materials:

(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene

3-(2,5-dimethoxy-phenyl)-propionic acid amide

3-(2,5-dimethoxyphenyl)propanoylhydrazine

β-dimethoxy-2,5 phenyl nitro ethylene

Downstream raw materials:

(2,5-dimethoxy-phenethyl)-dimethyl-amine

N-Chloroacetyl-2,5-dimethoxyphenethylamine

N-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-(4-methoxy-phenyl)-acetamide

2-(3,4-Dimethoxy-phenyl)-N-[2-(2,5-dimethoxy-phenyl)-ethyl]-acetamide

Refernces

• 1、 Alfonso, María,Díaz de Gre?u, Borja,Garrido, Eva,Gavi?a, Pablo,Lozano-Torres, Beatriz,Marcos, M. Dolores,Martínez-Má?ez, Ramón,Parra, Margarita,Sancenón, Félix. "Nanosensor for Sensitive Detection of the New Psychedelic Drug 25I-NBOMe". supporting information. . Retrieved 2020/02/27.
• 2、 Ravichandran, Veerasamy,Shalini, Sivadasan,Kumar, Krishnan Suresh,Rajak, Harish,Agrawal, Ram Kishore. "Design, synthesis and evaluation of thiourea derivatives as antimicrobial and antiviral agents". . p. 618 - 624. Retrieved 2019/06/25.