3-Aminophencyclidine

Base Information

• Chemical Name: 3-Aminophencyclidine
• CAS No.: 72242-00-3
• Molecular Formula: C17H26 N2
• Molecular Weight: 258.407
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90222577
• Nikkaji Number: J562.929B
• Wikidata: Q83100856
• Mol file: 72242-00-3.mol

Synonyms:3-aminophencyclidine;3-aminophencyclidine, 3H-labeled;m-amino-PCP

Chemical Property of 3-Aminophencyclidine

Chemical Property:

• Boiling Point: 400.7±28.0 °C(Predicted)
• PKA: 8.08±0.20(Predicted)
• PSA: 29.26000
• Density: 1.065±0.06 g/cm3(Predicted)
• LogP: 4.43320
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 258.209598838
• Heavy Atom Count: 19
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

3-(1-(Piperidin-1-yl)cyclohexyl)aniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC(=CC=C2)N)N3CCCCC3

Technology Process of 3-Aminophencyclidine

There total 2 articles about 3-Aminophencyclidine 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: 88.0%

3-nitrophencyclidine (70227-29-1) → 3-aminophencyclidine (72242-00-3)

Guidance literature:

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; at 25 ℃; for 2h; under 1034.3 - 2585.7 Torr; other reducing agent;

DOI:10.1021/jo00323a014

Reference yield:

Phencyclidine (77-10-1) → 3-aminophencyclidine (72242-00-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / conc. H₂SO₄, HNO₃ (1.5 d) / 1.) 0 deg C, 2.) 25 deg C, 1 h

2: 88 percent / H₂, 10percent aq. K₂CO₃ / 5percent Pd/C / ethanol / 2 h / 25 °C / 1034.3 - 2585.7 Torr / other reducing agent

With sulfuric acid; hydrogen; nitric acid; potassium carbonate; palladium on activated charcoal; In ethanol;

DOI:10.1021/jo00323a014

Reference yield:

3-aminophencyclidine (72242-00-3) + phenyl isothiocyanate (103-72-0) → 1-Phenyl-3-[3-(1-piperidin-1-yl-cyclohexyl)-phenyl]-thiourea (76916-16-0)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 40 ℃; for 2h;

DOI:10.1021/jo00323a014

upstream raw materials:

3-nitrophencyclidine

Phencyclidine

Downstream raw materials:

1-Phenyl-3-[3-(1-piperidin-1-yl-cyclohexyl)-phenyl]-thiourea

Refernces