p-Iodoclonidine

Base Information

• Chemical Name: p-Iodoclonidine
• CAS No.: 108294-53-7
• Molecular Formula: C₉H₈Cl₂IN₃
• Molecular Weight: 355.993
• Hs Code.: 2933290090
• UNII: JJ25E6L8H3
• Nikkaji Number: J448.134H
• Wikidata: Q82880618
• Pharos Ligand ID: 1CAW3JLD9NRA
• ChEMBL ID: CHEMBL360803
• Mol file: 108294-53-7.mol

Synonyms:4-iodoclonidine;p-iodoclonidine

Chemical Property of p-Iodoclonidine

Chemical Property:

• Vapor Pressure: 7.59E-06mmHg at 25°C
• Boiling Point: 375.8°Cat760mmHg
• Flash Point: 181.1°C
• PSA: 36.42000
• Density: 2.08g/cm³
• LogP: 4.23790
• Solubility.: H2O: soluble
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 354.91400
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

p-Iodoclonidine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN=C(N1)NC2=C(C=C(C=C2Cl)I)Cl
• Uses: p-Iodoclonidine Hydrochloride is a α2-Adrenergic agonist; and displays a high affinity for the α2-adrenergic receptor.

Technology Process of p-Iodoclonidine

There total 3 articles about p-Iodoclonidine 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-benzoyl-3-(2,6-dichloro-4-iodophenyl)thiourea (108294-54-8) → p-[125I]iodoclonidine (108294-53-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 10percent aq. NaOH / 0.17 h / Heating

2: 98 percent / methanol / 2 h / Heating

3: ethanol / 18 h / 145 °C

With sodium hydroxide; In methanol; ethanol;

DOI:10.1021/jm00390a021

Reference yield:

N-(2,6-dichloro-4-iodophenyl)-S-methylisothiourea hydroiodide (68569-85-7) + ethylenediamine (107-15-3,85404-18-8) → p-[125I]iodoclonidine (108294-53-7)

Guidance literature:

In ethanol; at 145 ℃; for 18h;

DOI:10.1021/jm00390a021

Reference yield:

(2,6-dichloro-4-iodophenyl)thiourea (108294-55-9) → p-[125I]iodoclonidine (108294-53-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / methanol / 2 h / Heating

2: ethanol / 18 h / 145 °C

In methanol; ethanol;

DOI:10.1021/jm00390a021

upstream raw materials:

N-(2,6-dichloro-4-iodophenyl)-S-methylisothiourea hydroiodide

ethylenediamine

(2,6-dichloro-4-iodophenyl)thiourea

1-benzoyl-3-(2,6-dichloro-4-iodophenyl)thiourea

Downstream raw materials:

[125I]-p-Iodoclonidine

Refernces