Enadoline

Base Information

• Chemical Name: Enadoline
• CAS No.: 124378-77-4
• Molecular Formula: C₂₄H₃₂N₂O₃
• Molecular Weight: 396.53
• UNII: KJL283326C
• DSSTox Substance ID: DTXSID4047258
• Nikkaji Number: J264.488F
• Wikipedia: Enadoline
• Wikidata: Q5375164
• NCI Thesaurus Code: C80576
• Pharos Ligand ID: 8ZNF2QFG81GT
• ChEMBL ID: CHEMBL318859
• Mol file: 124378-77-4.mol

Synonyms:CAM 569;CAM 570;CAM-569;CAM-570;CI 977;CI-977;enadoline;enadoline hydrochloride, (5R-(5alpha,7alpha,8beta));enadoline, (5alpha,7alpha,8beta)-(+-)-isomer;enadoline, (5alpha,7alpha,8beta)-(-)-isomer;N-methyl-N-(7-(1-pyrolidinyl)-1-oxaspiro(4,5)dec-8-yl)-4-benzofuranacetamide;PD 129289;PD 129290;PD-129289;PD-129290

Chemical Property of Enadoline

Chemical Property:

• Boiling Point: 563.2 °C at 760 mmHg
• Flash Point: 294.4 °C
• PSA: 45.92000
• Density: 1.2 g/cm³
• LogP: 3.93770
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 396.24129289
• Heavy Atom Count: 29
• Complexity: 593

Purity/Quality:

97% ^*data from raw suppliers

2-(Benzofuran-4-yl)-N-methyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl)acetamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=C5C=COC5=CC=C4
• Isomeric SMILES: CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=C5C=COC5=CC=C4
• Uses: Enadoline is a selective kappa opioid agonist. It exhibits antihyperalgesic and antiallodynic properties.

Technology Process of Enadoline

There total 4 articles about Enadoline 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:

C9H7ClMgO → enadoline (107431-28-7,124378-77-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) SOCl₂ / 1.) THF, -10 deg C, 5 min, 2.) THF, CH₂Cl₂, 5 min

2: triethylamine / tetrahydrofuran; CH₂Cl₂ / 0.17 h

With thionyl chloride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1002/jlcr.2580361208

Reference yield:

4-benzofuranacetyl chloride (113405-12-2) + (-)-(5α,7α,8β)-N-methyl-N-7-(1-pyrrolidinyl)-1-oxaspiro<4,5>decan-8-amine (1033267-82-1) → enadoline (107431-28-7,124378-77-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; dichloromethane; for 0.166667h; Yield given;

DOI:10.1002/jlcr.2580361208

Reference yield:

→ (+/-)-trans-N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]benzo[b]furan-4-acetamide (107431-28-7,124378-77-4)

Guidance literature:

upstream raw materials:

4-benzofuranacetyl chloride

(-)-(5α,7α,8β)-N-methyl-N-7-(1-pyrrolidinyl)-1-oxaspiro<4,5>decan-8-amine

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