Eperisone hydrochloride

Base Information

• Chemical Name: Eperisone hydrochloride
• CAS No.: 56839-43-1
• Molecular Formula: C17H26ClNO
• Molecular Weight: 295.853
• UNII: U38O8U7P6X
• DSSTox Substance ID: DTXSID8047844
• Wikidata: Q27889924
• NCI Thesaurus Code: C83693
• ChEMBL ID: CHEMBL2360601
• Mol file: 56839-43-1.mol

Synonyms:(4'-ethyl-2-methyl-3-piperidino)propiophenone;4-EMPP;E-0646;eperisone

Chemical Property of Eperisone hydrochloride

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 3.46E-06mmHg at 25°C
• Melting Point: 169-171°C
• Boiling Point: 386.8 °C at 760 mmHg
• Flash Point: 137.4 °C
• PSA: 20.31000
• Density: 0.994g/cm³
• LogP: 4.29360
• Storage Temp.: -20°C Freezer
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 295.1702921
• Heavy Atom Count: 20
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

EperisoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
• Recent ClinicalTrials: Phase 3 Study to Evaluate the Efficacy and Safety of DW-1030 and Eperisone HCl in Acute Back Pain Patients
• Recent EU Clinical Trials: Efficacia e Sicurezza di Eperisone Cloridrato
• Description: Eperisone hydrochloride is a centrally acting muscle relaxant useful in the management of various spastic conditions including cervical spondylosis and cerebral palsy. It is structurally related to tolperisone.
• Uses: A spasmolytic agent related structurally to Tolperisone (T535475). Muscle relaxant (skeletal). Used as antispasmodic
• Therapeutic Function: Muscle relaxant

Technology Process of Eperisone hydrochloride

There total 3 articles about Eperisone hydrochloride 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: 95.0%

1,3-DIOXOLANE (646-06-0) + 1-(4-ethylphenyl)-1-propanone (27465-51-6) + piperidine hydrochloride (6091-44-7) → eperisone hydrochloride (56839-43-1)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 6.5h;

DOI:10.1248/cpb.42.1676

Reference yield: 67.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(2-ethylphenyl)propan-1-one (16819-79-7) + piperidine hydrochloride (6091-44-7) → eperisone hydrochloride (56839-43-1)

Guidance literature:

In isopropyl alcohol; at 90 - 100 ℃; for 5h;

Reference yield:

1-bromo-2-ethylbenzene (1973-22-4) → eperisone hydrochloride (56839-43-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: magnesium; iodine / tetrahydrofuran / 2 h / -5 - 5 °C

1.2: 20 °C

2.1: trifluoroacetic anhydride / dimethyl sulfoxide; dichloromethane / 3 h / -30 °C

3.1: isopropyl alcohol / 5 h / 90 - 100 °C

With iodine; magnesium; trifluoroacetic anhydride; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; isopropyl alcohol;

upstream raw materials:

1,3-DIOXOLANE

1-(4-ethylphenyl)-1-propanone

piperidine hydrochloride

formaldehyd

Downstream raw materials:

eperisone

diclofenac eperisone salt

indomethacin eperisone salt

Refernces

• 1、 Sumita,Koumori,Ohno. "A modified Mannich reaction using 1,3-dioxolane". . p. 1676 - 1678. Retrieved 2007/10/02.