para-Iodoamphetamine

Base Information

• Chemical Name: para-Iodoamphetamine
• CAS No.: 21894-72-4
• Molecular Formula: C₉H₁₂IN
• Molecular Weight: 261.105
• UNII: C4UL3HTE7T
• DSSTox Substance ID: DTXSID20897232
• Nikkaji Number: J362.451J
• Wikipedia: Para-Iodoamphetamine
• Wikidata: Q229986
• ChEMBL ID: CHEMBL6368
• Mol file: 21894-72-4.mol

Synonyms:(I123)-iodoamphetamine;4-iodoamphetamine;4-iodoamphetamine, (+-)-isomer;4-iodoamphetamine, 123I-labeled, (R)-isomer;4-iodoamphetamine, 123I-labeled, (S)-isomer;para-iodoamphetamine

Chemical Property of para-Iodoamphetamine

Chemical Property:

• Vapor Pressure: 0.00508mmHg at 25°C
• Boiling Point: 275.5°Cat760mmHg
• Flash Point: 120.4°C
• PSA: 26.02000
• Density: 1.583g/cm³
• LogP: 2.88120
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.00145
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

4-IODOAMPHETAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=C(C=C1)I)N

Technology Process of para-Iodoamphetamine

There total 4 articles about para-Iodoamphetamine 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-(4-iodophenyl)-2-propanone (21906-36-5) → 1-(4-iodophenyl)-propan-2-amine (21894-72-4,76465-11-7,76471-50-6,82444-07-3)

Guidance literature:

With formic acid; formamide; at 170 - 180 ℃; for 16h;

Reference yield:

p-(iodophenyl)carboxaldehyde (15164-44-0) → 1-(4-iodophenyl)-propan-2-amine (21894-72-4,76465-11-7,76471-50-6,82444-07-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₄OAc / acetic acid / 3 h / Heating

2: Fe, FeCl₃, aq. HCl / 1 h / Heating

3: HCONH₂, HCO₂H / 16 h / 170 - 180 °C

With hydrogenchloride; formic acid; ammonium acetate; iron(III) chloride; iron; formamide; In acetic acid;

Reference yield:

4-Iod-β-nitro-propenylbenzol (21905-93-1) → 1-(4-iodophenyl)-propan-2-amine (21894-72-4,76465-11-7,76471-50-6,82444-07-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Fe, FeCl₃, aq. HCl / 1 h / Heating

2: HCONH₂, HCO₂H / 16 h / 170 - 180 °C

With hydrogenchloride; formic acid; iron(III) chloride; iron; formamide;

upstream raw materials:

1-(4-iodophenyl)-2-propanone

4-Iod-β-nitro-propenylbenzol

p-(iodophenyl)carboxaldehyde

Iofetamine hydrochloride

Refernces