Ethamivan

Base Information

• Chemical Name: Ethamivan
• CAS No.: 304-84-7
• Deprecated CAS: 8060-67-1
• Molecular Formula: C12H17 N O3
• Molecular Weight: 223.272
• Hs Code.: 2924299090
• European Community (EC) Number: 206-157-3
• NSC Number: 759302,406087
• UNII: M44O63YPV9
• DSSTox Substance ID: DTXSID3023007
• Nikkaji Number: J5.492E
• Wikipedia: Etamivan
• Wikidata: Q5402414
• NCI Thesaurus Code: C76623
• Metabolomics Workbench ID: 152063
• ChEMBL ID: CHEMBL1229908
• Mol file: 304-84-7.mol

Synonyms:etamivan;ethamivan

Chemical Property of Ethamivan

Chemical Property:

• Vapor Pressure: 5.11E-07mmHg at 25°C
• Melting Point: 96-97 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 401.4°Cat760mmHg
• PKA: 8.73±0.20(Predicted)
• Flash Point: 196.6°C
• PSA: 49.77000
• Density: 1.115g/cm³
• LogP: 1.88280
• Solubility.: methanol: 0.1 g/mL, clear
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

99%, ^*data from raw suppliers

Vanillicaciddiethylamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC
• Uses: antihypertensive, vasoconstrictor Vanillic acid diethylamide is a central nervous system and respiratory stimulant.
• Therapeutic Function: Central and respiratory stimulant

Technology Process of Ethamivan

There total 2 articles about Ethamivan 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:

3-methoxy-4-hydroxybenzoic acid (121-34-6) + diethylamine (109-89-7) → etamivan (304-84-7)

Guidance literature:

With phosphorus pentoxide;

Reference yield:

→ etamivan (304-84-7)

Guidance literature:

entspr. Thioamid, H2O2;

Reference yield: 95.0%

2-(5-chloropentyloxy)benzo[d]thiazole (1416803-79-6) + etamivan (304-84-7) → 4-(5-(benzo[d]thiazol-2-yloxy)pentyloxy)-N,N-diethyl-3-methoxybenzamide (1416803-88-7)

Guidance literature:

etamivan; With sodium hydroxide; In N,N-dimethyl-formamide; at 50 - 55 ℃; for 0.5h;

2-(5-chloropentyloxy)benzo[d]thiazole; In N,N-dimethyl-formamide; at 80 - 90 ℃; for 3h;

DOI:10.1007/s12272-015-0672-x

upstream raw materials:

3-methoxy-4-hydroxybenzoic acid

diethylamine

Downstream raw materials:

1,2-epoxy-3-(2'-methoxy-4'-diethylcarbamoylphenoxy)-propan

1-chloro-3-(2'-methoxy-4'-diethylcarbamoylphenoxy)propan-2-ol

methyl-phenyl-carbamic acid 4-diethylcarbamoyl-2-methoxy-phenyl ester

p-[(3,7-dimethyl-2,6-octadienyl)-oxy]-N,N-diethyl-m-methoxybenzamide