Pentamoxane

Base Information

• Chemical Name: Pentamoxane
• CAS No.: 4730-07-8
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.326
• UNII: 3058ED330D
• DSSTox Substance ID: DTXSID50963797
• Wikidata: Q27255915
• NCI Thesaurus Code: C166613
• ChEMBL ID: CHEMBL2111050
• Mol file: 4730-07-8.mol

Synonyms:PENTAMOXANE;Pentamoxane [INN];4730-07-8;3058ED330D;UNII-3058ED330D;N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylbutan-1-amine;SCHEMBL2109201;CHEMBL2111050;DTXSID50963797;AKOS009026973;2-ISOPENTYLAMINOMETHYL-1,4-BENZODIOXANE;1,4-BENZODIOXAN-2-METHYLAMINE, N-ISOPENTYL-;Q27255915;Z102773870;1,4-BENZODIOXIN-2-METHANAMINE, 2,3-DIHYDRO-N-(3-METHYLBUTYL)-;N-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-3-methylbutan-1-amine

Chemical Property of Pentamoxane

Chemical Property:

• Vapor Pressure: 0.000294mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 321.6°Cat760mmHg
• Flash Point: 135.8°C
• PSA: 30.49000
• Density: 1.018g/cm³
• LogP: 2.85300
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 235.157228913
• Heavy Atom Count: 17
• Complexity: 220

Purity/Quality:

(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLMETHYL)(3-METHYLBUTYL)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCNCC1COC2=CC=CC=C2O1

Technology Process of Pentamoxane

There total 1 articles about Pentamoxane 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:

→ 2-Isopentylaminomethyl-1,4-benzodioxan (4730-07-8)

Guidance literature:

2-Aminomethyl-1,4-benzodioxan, Isopentylbromid, Erhitzen auf 130-140grad in Anwesenheit von Triaethylamin;

DOI:10.1021/jm00330a038

Refernces