Phenaridine

Base Information

• Chemical Name: Phenaridine
• CAS No.: 42045-97-6
• Molecular Formula: C₂₄H₃₂N₂O
• Molecular Weight: 364.531
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00962230
• Nikkaji Number: J528.744H
• Wikipedia: Phenaridine
• Wikidata: Q7181330
• Metabolomics Workbench ID: 152213
• Mol file: 42045-97-6.mol

Synonyms:1-(2-phenethyl)-2,5-dimethyl-4-aminopropionylpiperidine citrate;fenaridine;phenaridine;phenaridine hydrochloride;phenaridine sulfate;phenaridine, (2alpha, 4alpha, 5alpha)-;phenaridine, (2alpha, 4alpha, 5beta)-;phenaridine, (2alpha, 4beta, 5beta)-;phenaridine, (2alpha,4alpha,5alpha)-isomer;phenaridine, (2alpha,4alpha,5beta)-isomer;phenaridine, (2alpha,4beta,5beta)-isomer;phenaridine, (2S-2alpha,4beta,5beta)-isomer sulfate (1:1)

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Chemical Property of Phenaridine

Chemical Property:

• Vapor Pressure: 2.32E-09mmHg at 25°C
• Boiling Point: 479.7°Cat760mmHg
• PKA: 9.65±0.20(Predicted)
• Flash Point: 183.4°C
• PSA: 23.55000
• Density: 1.043g/cm³
• LogP: 4.70910
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 364.251463648
• Heavy Atom Count: 27
• Complexity: 453

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)N(C1CC(N(CC1C)CCC2=CC=CC=C2)C)C3=CC=CC=C3

Technology Process of Phenaridine

There total 5 articles about Phenaridine 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: 74.0%

(2,5-Dimethyl-1-phenethyl-piperidin-4-yl)-phenyl-amine (105115-49-9) + propionyl chloride (79-03-8) → 1-(2-phenethyl)-2,5-dimethyl-4-N-propionylanilinopiperidine (42045-97-6)

Guidance literature:

With triethylamine; In benzene; for 7h; Ambient temperature;

DOI:10.1007/BF00758289

Reference yield:

1-(2-phenylethyl)-2,5-dimethyl-4-piperidone (29280-78-2) → 1-(2-phenethyl)-2,5-dimethyl-4-N-propionylanilinopiperidine (42045-97-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / glacial acetic acid / toluene / Heating

2: 80 percent / sodium borohydride / methanol / 0.5 h / 20 °C

3: 74 percent / triethylamine / benzene / 7 h / Ambient temperature

With sodium tetrahydroborate; acetic acid; triethylamine; In methanol; toluene; benzene;

DOI:10.1007/BF00758289

Reference yield:

[2,5-Dimethyl-1-phenethyl-piperidin-(4E)-ylidene]-phenyl-amine (123039-70-3) → 1-(2-phenethyl)-2,5-dimethyl-4-N-propionylanilinopiperidine (42045-97-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / sodium borohydride / methanol / 0.5 h / 20 °C

2: 74 percent / triethylamine / benzene / 7 h / Ambient temperature

With sodium tetrahydroborate; triethylamine; In methanol; benzene;

DOI:10.1007/BF00758289

upstream raw materials:

(2,5-Dimethyl-1-phenethyl-piperidin-4-yl)-phenyl-amine

propionyl chloride

1-(2-phenylethyl)-2,5-dimethyl-4-piperidone

[2,5-Dimethyl-1-phenethyl-piperidin-(4E)-ylidene]-phenyl-amine

Downstream raw materials:

(2,5-Dimethyl-1-phenethyl-piperidin-4-yl)-phenyl-propyl-amine