Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)-

Base Information

• Chemical Name: Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)-
• CAS No.: 82864-06-0
• Molecular Formula: C₁₁H₁₆INO₂
• Molecular Weight: 321.158
• UNII: D6E55XML6H
• Nikkaji Number: J269.510C
• Wikidata: Q27078103
• Pharos Ligand ID: C4TLZB7ZGHPL
• ChEMBL ID: CHEMBL134519
• Mol file: 82864-06-0.mol

Synonyms:(R)-DOI;CHEMBL134519;(-)-DOI;(R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine;R-DOI;Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)-;D01TSX;D6E55XML6H;Doi, (R)-;Lopac0_000478;GTPL157;82864-06-0;SCHEMBL713061;(R)-(-)-Doi;BDBM50133231;PDSP1_001388;PDSP2_001372;CCG-204569;NCGC00162167-01;2,5-Dimethoxy-4-iodoamphetamine, (R)-;(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine;(r)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane;Q27078103;(R)-2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine;(alphaR)-4-Iodo-2,5-dimethoxy-alpha-methylbenzeneethanamine;(R)-2-(4-Iodo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine;Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (R)-

Chemical Property of Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 321.02258
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1OC)I)OC)N
• Isomeric SMILES: C[C@H](CC1=CC(=C(C=C1OC)I)OC)N

Technology Process of Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)-

There total 4 articles about Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)- 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: 78.0%

2,5-dimethoxyphenylisopropylamine (2801-68-5) → 4-iodo-2,5-dimethoxyphenylisopropylamine (64584-34-5,82830-53-3,82864-06-0,99665-04-0)

Guidance literature:

With iodine; silver sulfate; In ethanol; for 17h; Ambient temperature;

DOI:10.1016/S0040-4039(00)73715-4

Reference yield:

(+/-)-N-acetyl-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (82830-50-0) → 4-iodo-2,5-dimethoxyphenylisopropylamine (64584-34-5,82830-53-3,82864-06-0,99665-04-0)

Guidance literature:

With sodium hydroxide; In ethylene glycol; Heating;

DOI:10.1139/v73-210

Reference yield:

N-Acetyl-1-(4-amino-2,5-dimethoxyphenyl)-2-aminopropan-hydrochlorid (42203-73-6) → 4-iodo-2,5-dimethoxyphenylisopropylamine (64584-34-5,82830-53-3,82864-06-0,99665-04-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, aq. HCl, (ii) aq. KI

2: aq. NaOH / ethane-1,2-diol / Heating

With sodium hydroxide; In ethylene glycol;

DOI:10.1139/v73-210

upstream raw materials:

2,5-dimethoxyphenylisopropylamine

(+/-)-N-acetyl-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane

N-Acetyl-1-(4-amino-2,5-dimethoxyphenyl)-2-aminopropan-hydrochlorid

Downstream raw materials:

(+)-DOI