6-(2-Phenylethyl)oximino naltrexone

Base Information

• Chemical Name: 6-(2-Phenylethyl)oximino naltrexone
• CAS No.: 127227-10-5
• Molecular Formula: C₂₈H₃₂N₂O₄
• Molecular Weight: 460.573
• Mol file: 127227-10-5.mol

Synonyms:6-(2-phenylethyl)oximino naltrexone;NPC 831;NPC-831

Chemical Property of 6-(2-Phenylethyl)oximino naltrexone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 654°Cat760mmHg
• Flash Point: 349.3°C
• PSA: 74.52000
• Density: 1.45g/cm³
• LogP: 3.50950
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 460.23620751
• Heavy Atom Count: 34
• Complexity: 810

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CN2CCC34C5C(=NOCCC6=CC=CC=C6)CCC3(C2CC7=C4C(=C(C=C7)O)O5)O
• Isomeric SMILES: C1CC1CN2CC[C@]34[C@@H]5/C(=N/OCCC6=CC=CC=C6)/CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O

Technology Process of 6-(2-Phenylethyl)oximino naltrexone

There total 3 articles about 6-(2-Phenylethyl)oximino naltrexone 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:

2-phenethoxyisoindoline-1,3-dione (92856-14-9) → C28H32N2O4 (127227-10-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂NH₂*H₂O / ethanol / 1 h / Heating

2: conc. HCl / ethanol / 15 h / Ambient temperature; pH 4

With hydrogenchloride; hydrazine hydrate; In ethanol;

DOI:10.1016/0223-5234(94)90027-2

Reference yield:

1-phenyl-2-bromoethane (103-63-9) → C28H32N2O4 (127227-10-5)

Guidance literature:

Multi-step reaction with 3 steps

1: DEAD, PPh₃ / tetrahydrofuran / 20 h

2: NH₂NH₂*H₂O / ethanol / 1 h / Heating

3: conc. HCl / ethanol / 15 h / Ambient temperature; pH 4

With hydrogenchloride; hydrazine hydrate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; ethanol;

DOI:10.1016/0223-5234(94)90027-2

Reference yield:

O-(2-phenylethyl)hydroxylamine (4732-11-0) + Naltrexone (16590-41-3) → C28H32N2O4 (127227-10-5)

Guidance literature:

With hydrogenchloride; In ethanol; for 15h; Ambient temperature; pH 4;

DOI:10.1016/0223-5234(94)90027-2

upstream raw materials:

O-(2-phenylethyl)hydroxylamine

Naltrexone

2-phenethoxyisoindoline-1,3-dione

1-phenyl-2-bromoethane