Alinidine

Base Information

• Chemical Name: Alinidine
• CAS No.: 33178-86-8
• Molecular Formula: C12H13Cl2N3
• Molecular Weight: 270.161
• European Community (EC) Number: 636-481-4
• UNII: E7IDJ8DS1D
• DSSTox Substance ID: DTXSID4022571
• Nikkaji Number: J19.734C
• Wikipedia: Alinidine
• Wikidata: Q4726779
• NCI Thesaurus Code: C72571
• ChEMBL ID: CHEMBL278581
• Mol file: 33178-86-8.mol

Synonyms:2-(N-allyl-N-(2,6-dichlorophenyl)amino)-2-imidazoline;alinidine;N-allylclonidine;ST 567;ST-567

Chemical Property of Alinidine

Chemical Property:

• Vapor Pressure: 2.25E-05mmHg at 25°C
• Melting Point: 130-131° (Sthle, 1973); mp 127-129° (Sthle, 1980)
• Refractive Index: 1.611
• Boiling Point: 360.2 °C at 760 mmHg
• PKA: 10.42(at 25℃)
• Flash Point: 171.7 °C
• PSA: 27.63000
• Density: 1.3 g/cm³
• LogP: 2.70940
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 269.0486528
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Alinidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2
• Uses: Alinidine has a blocking effect on calcium and potassium channels. It also causes elongation of re-polarisation after an action potential.

Technology Process of Alinidine

There total 3 articles about Alinidine 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: 76.0%

1-amino-2-propene (107-11-9,30551-89-4) + Clonidine (4205-90-7) → alinidine (33178-86-8)

Guidance literature:

With sodium sulfite; In nitromethane; at 15 - 65 ℃; for 6h; Temperature; Concentration;

Reference yield: 57.2%

allyl bromide (106-95-6) + Clonidine (4205-90-7) → alinidine (33178-86-8)

Guidance literature:

With sodium carbonate; In methanol; at 65 ℃; for 4h;

DOI:10.1021/jm00185a013

Reference yield:

→ alinidine (33178-86-8)

Guidance literature:

Allylbromid + entspr. Anilin.;

upstream raw materials:

allyl bromide

Clonidine

1-amino-2-propene

Downstream raw materials:

1-methyl-2-[N-allyl-N-(2,6-dichloro-phenyl)-amino]-2-imidazoline