Proadifen

Base Information

• Chemical Name: Proadifen
• CAS No.: 302-33-0
• Molecular Formula: C23H31 N O2
• Molecular Weight: 353.505
• UNII: A510CA4CBT
• DSSTox Substance ID: DTXSID2048452
• Nikkaji Number: J5.479H
• Wikipedia: Proadifen
• Wikidata: Q7246819
• NCI Thesaurus Code: C84107
• Pharos Ligand ID: XJ15KJUHM5D8
• ChEMBL ID: CHEMBL282567
• Mol file: 302-33-0.mol

Synonyms:Acetate, Diethylaminoethyldiphenylpropyl;Diethylaminoethyldiphenylpropyl Acetate;Hydrochloride, Proadifen;Proadifen;Proadifen Hydrochloride;Propyladiphenin;SK 525A;SK and F 525 A;SK and F-525-A;SK and F525A;SK-525A;SK525A;SKF 525 A;SKF-525-A;SKF-525A;SKF525A

Chemical Property of Proadifen

Chemical Property:

• Vapor Pressure: 1.13E-08mmHg at 25°C
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 460.8°Cat760mmHg
• PKA: 9.20±0.25(Predicted)
• Flash Point: 132.3°C
• PSA: 29.54000
• Density: 1.023g/cm³
• LogP: 4.65780
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 353.235479232
• Heavy Atom Count: 26
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

PROADIFEN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC
• Uses: Synergist (non-specific).

Technology Process of Proadifen

There total 6 articles about Proadifen 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:

Diphenylacetonitrile (86-29-3) → proadifen (302-33-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) sodamide / 1.) benzene, reflux, 2 h, 2.) benzene, reflux, 2 h

2: 18 percent / 70percent aq.H₂SO₄ / 48 h / 150 °C

3: SOCl₂ / 1 h / Heating

4: benzene / 20 h / Heating

With thionyl chloride; sulfuric acid; sodium amide; In benzene;

DOI:10.1021/jm00385a008

Reference yield:

2,2’-diphenylpentanenitrile (29949-16-4) → proadifen (302-33-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 18 percent / 70percent aq.H₂SO₄ / 48 h / 150 °C

2: SOCl₂ / 1 h / Heating

3: benzene / 20 h / Heating

With thionyl chloride; sulfuric acid; In benzene;

DOI:10.1021/jm00385a008

Reference yield:

SKF 2314 (841-32-7) → proadifen (302-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 1 h / Heating

2: benzene / 20 h / Heating

With thionyl chloride; In benzene;

DOI:10.1021/jm00385a008

upstream raw materials:

2,2-diphenyl-valeryl chloride

2-(Diethylamino)ethanol

Diphenylacetonitrile

2,2’-diphenylpentanenitrile

Refernces