4-Iodo-2,5-dimethoxyphenethylamine

Base Information

• Chemical Name: 4-Iodo-2,5-dimethoxyphenethylamine
• CAS No.: 69587-11-7
• Molecular Formula: C10H14INO2
• Molecular Weight: 307.131
• Hs Code.: 2922299090
• European Community (EC) Number: 690-397-2
• UNII: S35362848V
• DSSTox Substance ID: DTXSID80893674
• Nikkaji Number: J627.875B
• Wikipedia: 2C-I
• Wikidata: Q209255
• ChEMBL ID: CHEMBL338297
• Mol file: 69587-11-7.mol

Synonyms:2,5-dimethoxy-4-iodophenethylamine;2C-I compound;4-iodo-2,5-dimethoxy-beta-phenethylamine

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Chemical Property of 4-Iodo-2,5-dimethoxyphenethylamine

Chemical Property:

• Boiling Point: 354.324 °C at 760 mmHg
• PKA: 9.42±0.10(Predicted)
• Flash Point: 168.089 °C
• PSA: 44.48000
• Density: 1.567 g/cm³
• LogP: 2.50990
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 307.00693
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1CCN)OC)I

Technology Process of 4-Iodo-2,5-dimethoxyphenethylamine

There total 11 articles about 4-Iodo-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: 99.0%

tert-butyl N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]carbamate (1216821-16-7) → 2-(4-iodo-2,5-dimethoxyphenyl)ethylamine (69587-11-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2017.09.024

Reference yield: 97.0%

N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]-2,2,2-trifluoroacetamide (159277-10-8) → 2-(4-iodo-2,5-dimethoxyphenyl)ethylamine (69587-11-7)

Guidance literature:

With sodium hydroxide; In methanol; at 40 ℃; for 2h; Inert atmosphere;

DOI:10.1002/cbdv.200800235

Reference yield: 40.0%

2,5-dimethoxyphenethylamine (3600-86-0) → 2-(4-iodo-2,5-dimethoxyphenyl)ethylamine (69587-11-7)

Guidance literature:

With iodine; silver sulfate; In ethanol; at 20 ℃; for 48h; regioselective reaction;

DOI:10.1016/j.tetlet.2020.152804

upstream raw materials:

2-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]isoindole-1,3-dione

N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]-2,2,2-trifluoroacetamide

tert-butyl N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]carbamate

3-(2,5-dimethoxyphenyl)propanoic acid

Downstream raw materials:

N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]-2,2,2-trifluoroacetamide

tert-butyl N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]carbamate

2-(((4-iodo-2,5-dimethoxyphenethyl)amino)methyl)phenol

1-(2,5-dimethoxy-4-(trufluoromethyl)phenyl)-2-aminoethane

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、 Trachsel, Daniel,Nichols, David E.,Kidd, Stephanie,Hadorn, Marcel,Baumberger, Franz. "4-Aryl-substituted 2,5-dimethoxyphenethylamines: Synthesis and serotonin 5-HT2A receptor affinities". experimental part. p. 692 - 704. Retrieved 2010/04/23.