Ethaverine

Base Information

• Chemical Name: Ethaverine
• CAS No.: 486-47-5
• Molecular Formula: C24H29 N O4
• Molecular Weight: 395.499
• European Community (EC) Number: 207-633-3
• UNII: 2H2HC19DYZ
• DSSTox Substance ID: DTXSID3023009
• Nikkaji Number: J6.010K
• Wikidata: Q27166421
• NCI Thesaurus Code: C73332
• Metabolomics Workbench ID: 143593
• ChEMBL ID: CHEMBL1555736
• Mol file: 486-47-5.mol

Synonyms:Ethaquin;ethaverine;ethaverine hydrochloride;Ethquinol;ethylpapaverine

Chemical Property of Ethaverine

Chemical Property:

• Vapor Pressure: 1.13E-10mmHg at 25°C
• Melting Point: 99-101°
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 527.1°Cat760mmHg
• PKA: 6.41±0.40(Predicted)
• Flash Point: 185.9°C
• PSA: 49.81000
• Density: 1.104g/cm³
• LogP: 5.42040
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 395.20965841
• Heavy Atom Count: 29
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

Ethaverine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC
• Uses: Ethaverine is an analogue of Papaverine (P190500), an antispasmodic. An isoquinoline derivative with the potential for antimicrobial, antimalarial and cytotoxic antiviral agents.
• Therapeutic Function: Spasmolytic, Vasodilator, Antiarrhythmic

Technology Process of Ethaverine

There total 8 articles about Ethaverine 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:

6,7-diethoxy-1-(3,4-diethoxy-benzyl)-isoquinoline-3-carboxylic acid (855692-23-8) → ethaverine (486-47-5)

Guidance literature:

With 1-Methylnaphthalene; at 240 ℃;

DOI:10.1016/S0040-4039(99)02045-6

Reference yield:

1-(3',4'-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-isoquinoline (861-27-8) → ethaverine (486-47-5)

Guidance literature:

With palladium on activated charcoal; diisopropylbenzene;

DOI:10.1021/ja01166a009 DOI:10.1021/ja01173a530

Reference yield:

2-(3,4-diethoxyphenyl)ethylamine (61381-04-2) → ethaverine (486-47-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 180 - 192 °C

2: phosphoryl chloride; benzene

3: palladium/charcoal; diisopropylbenzene

With palladium on activated charcoal; diisopropylbenzene; trichlorophosphate; benzene;

DOI:10.1021/ja01173a530

upstream raw materials:

1-(3',4'-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-isoquinoline

6,7-diethoxy-1-(3,4-diethoxy-benzyl)-isoquinoline-3-carboxylic acid

diethyl sulfate

2-(3,4-diethoxyphenyl)ethylamine

Downstream raw materials:

6,7-diethoxy-1-(3,4-diethoxy-benzyl)-2-methyl-isoquinolinium; iodide