Pallidine

Base Information

• Chemical Name: Pallidine
• CAS No.: 25650-75-3
• Molecular Formula: C19H21 N O4
• Molecular Weight: 327.37
• ChEMBL ID: CHEMBL4468022
• DSSTox Substance ID: DTXSID80948532
• Wikidata: Q82926364
• Mol file: 25650-75-3.mol

Synonyms:Pallidine;(-)-Isosalutaridine;25650-75-3;Morphinan-7-one, 5,6,8,14-tetradehydro-2-hydroxy-3,6-dimethoxy-17-methyl-, (9alpha,13alpha)-;CHEMBL4468022;DTXSID80948532;2-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one

Chemical Property of Pallidine

Chemical Property:

• Boiling Point: 545.6±50.0 °C(Predicted)
• PKA: 9.47±0.40(Predicted)
• PSA: 59.00000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 1.87610
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 327.14705815
• Heavy Atom Count: 24
• Complexity: 613

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C=C(C(=O)C=C2C1CC4=CC(=C(C=C34)OC)O)OC
• Isomeric SMILES: CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=CC(=C(C=C34)OC)O)OC

Technology Process of Pallidine

There total 3 articles about Pallidine 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: 7.9%

(+)-(S)-reticuline (485-19-8) → isoboldine (3019-51-0,5164-93-2,13529-67-4,104597-61-7) + pallidine (25650-75-3) + S-(-)-coreximine (483-45-4) + (S)-scoulerine (605-34-5,6451-72-5,6451-73-6,6507-34-2)

Guidance literature:

With phosphate buffer; (S)-2-[3]pyridyl-pyrrolidine-1-carboxylic acid amide; NADPH; magnesium chloride; at 37 ℃; for 2h; rat liver microsomes;

Reference yield:

→ Isosalutaridin (23599-67-9,25650-75-3,27841-88-9)

Guidance literature:

O-Benzyl-isosalutaridin, 48percent-ig. methanol. HBr;

Reference yield:

→ pallidine (25650-75-3)

Guidance literature:

(S)(+)-Reticulin (VI), K3;

upstream raw materials:

(+)-(S)-reticuline