Lofentanil oxalate

Base Information

• Chemical Name: Lofentanil oxalate
• CAS No.: 61380-41-4
• Molecular Formula: C₂H₂O₄*C₂₅H₃₂N₂O₃
• Molecular Weight: 498.576
• European Community (EC) Number: 262-750-7
• UNII: 6C1599T3OQ
• DSSTox Substance ID: DTXSID10976924
• Wikidata: Q27264468
• NCI Thesaurus Code: C80584
• Mol file: 61380-41-4.mol

Synonyms:lofentanil;lofentanil oxalate;lofentanil oxalate, (cis-(+))-isomer;lofentanil oxalate, (cis-(-))-isomer;lofentanil, (cis)-(+)-isomer;lofentanil, cis-(+-)-isomer;lofentanil, cis-(-)-isomer;lofentanil, trans-(+-)-isomer;lofentanyl;R 34995

Chemical Property of Lofentanil oxalate

Chemical Property:

• Vapor Pressure: 1.08E-10mmHg at 25°C
• Melting Point: 177°
• Boiling Point: 514.4°C at 760 mmHg
• Flash Point: 264.9°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 498.23660143
• Heavy Atom Count: 36
• Complexity: 640

Purity/Quality:

99% ^*data from raw suppliers

LOFENTANIL OXALATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2C)CCC3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O
• Isomeric SMILES: CCC(=O)N(C1=CC=CC=C1)[C@@]2(CCN(C[C@@H]2C)CCC3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O
• Uses: Analgesic (narcotic). Controlled Substance.

Technology Process of Lofentanil oxalate

There total 5 articles about Lofentanil oxalate 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:

cis methyl 3-methyl-4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate (345652-52-0) + chloroform (67-66-3,8013-54-5) + propionic acid (802294-64-0,79-09-4) → trans-methyl 3-methyl-4-[N-(1-oxopropyl)-N-phenylamino]-1-(2-phenylethyl)-4-piperidinecarboxylate ethanedioate (61087-48-7,61087-50-1,61380-39-0,61380-41-4,73025-44-2,73025-45-3,73025-48-6,73025-49-7)

Guidance literature:

In water; isopropyl alcohol;

Reference yield:

cis 3-methyl-4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylic acid sodium salt → trans-methyl 3-methyl-4-[N-(1-oxopropyl)-N-phenylamino]-1-(2-phenylethyl)-4-piperidinecarboxylate ethanedioate (61087-48-7,61087-50-1,61380-39-0,61380-41-4,73025-44-2,73025-45-3,73025-48-6,73025-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N,N,N,N,N-hexamethylphosphoric triamide; ice-water; water

2: water; isopropyl alcohol

In N,N,N,N,N,N-hexamethylphosphoric triamide; ice-water; water; isopropyl alcohol;

Reference yield:

→ trans-methyl 3-methyl-4-[N-(1-oxopropyl)-N-phenylamino]-1-(2-phenylethyl)-4-piperidinecarboxylate ethanedioate (61087-48-7,61087-50-1,61380-39-0,61380-41-4,73025-44-2,73025-45-3,73025-48-6,73025-49-7)

Guidance literature:

(C2H5CO)2O, entspr. Amin;

upstream raw materials:

cis methyl 3-methyl-4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate

chloroform

propionic acid

Refernces

• 1、 -. "N-(4-piperidinyl)-N-phenylamides and -carbamates". . . Retrieved 2008/06/13.