CID 657281

Base Information

• Chemical Name: CID 657281
• CAS No.: 79944-56-2
• Molecular Formula: C₁₁H₁₂N₂O₂*ClH
• Molecular Weight: 240.689
• Mol file: 79944-56-2.mol

Synonyms:AKOS026749795

Chemical Property of CID 657281

Chemical Property:

• Vapor Pressure: 3.76E-06mmHg at 25°C
• Melting Point: 207-208°
• Boiling Point: 397°C at 760 mmHg
• Flash Point: 193.9°C
• PSA: 42.85000
• LogP: 1.39450
• Storage Temp.: Store at RT
• Solubility.: H2O: 300 mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 240.0665554
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

Idazoxan hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].C1CN=C(N1)C2COC3=CC=CC=C3O2.[Cl-]
• Uses: Idazoxan hydrochloride has been used to study the efficacy of antidepressant treatments that interact with multiple neurotransmitter systems. An α-adrenoceptor antagonist; in rat brain Idazoxan is a pure antagonist and it has a selectivity for α2- over α1-receptors markedly superior to Piperoxane, Yohimbine, or Rauwolscine. Antiparkinsonian. Antiparkinsonian;Alpha2 agonist

Technology Process of CID 657281

There total 5 articles about CID 657281 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: 81.0%

2-cyano-1,4-benzodioxane (1008-92-0) + ethylenediamine (107-15-3,85404-18-8) → Idazoxan hydrochloride (79944-56-2)

Guidance literature:

2-cyano-1,4-benzodioxane; With hydrogenchloride; sodium methylate; In methanol; at 20 ℃; for 4h;

ethylenediamine; With hydrogenchloride; In methanol; at 0 - 10 ℃; for 20h;

Reference yield:

2-cyano-1,4-benzodioxane (1008-92-0) → Idazoxan hydrochloride (79944-56-2)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / diethyl ether

2: 2.) HCl

With hydrogenchloride; In diethyl ether;

DOI:10.1016/S0040-4039(01)92358-5

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → Idazoxan hydrochloride (79944-56-2)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone

2: HCl / diethyl ether

3: 2.) HCl

With hydrogenchloride; potassium carbonate; In diethyl ether; acetone;

DOI:10.1016/S0040-4039(01)92358-5

upstream raw materials:

ethyl (1,4-benzodioxan-2-yl)imidoate hydrochloride

ethylenediamine

2-cyano-1,4-benzodioxane

benzene-1,2-diol

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