1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, hydrochloride

Base Information

• Chemical Name: 1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, hydrochloride
• CAS No.: 101684-63-3
• Molecular Formula: C31H41 Cl2 N O4 . Cl H
• Molecular Weight: 599.0285
• DSSTox Substance ID: DTXSID50906482
• Mol file: 101684-63-3.mol

Synonyms:2-((Bis(2-chloroethyl)amino)methyl)-1,5-bis(4-butoxyphenyl)-4-methylene-1,5-pentanedione HCl;1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, hydrochloride;101684-63-3;C31H41Cl2NO4.ClH;DTXSID50906482;LS-101679;LS-101680;2-{[Bis(2-chloroethyl)amino]methyl}-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione--hydrogen chloride (1/1)

Chemical Property of 1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, hydrochloride

Chemical Property:

• Vapor Pressure: 9.29E-18mmHg at 25°C
• Melting Point: 193-195 °C
• Boiling Point: 668.9°Cat760mmHg
• Flash Point: 358.4°C
• PSA: 55.84000
• Density: g/cm³
• LogP: 8.25410
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 20
• Exact Mass: 597.217942
• Heavy Atom Count: 39
• Complexity: 681

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCC)CN(CCCl)CCCl.Cl

Technology Process of 1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, hydrochloride

There total 1 articles about 1,5-Pentanedione, 1,5-bis(4-butoxyphenyl)-2-((bis(2-chloroethyl)amino)methyl)-4-methylene-, 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: 53.5%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,5-bis-(4-butoxy-phenyl)-pentane-1,5-dione (101684-69-9) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → 2-{[Bis-(2-chloro-ethyl)-amino]-methyl}-1,5-bis-(4-butoxy-phenyl)-4-methylene-pentane-1,5-dione; hydrochloride (101684-63-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 85 - 95 ℃; for 1h;

DOI:10.1007/BF00766679

upstream raw materials:

formaldehyd

1,5-bis-(4-butoxy-phenyl)-pentane-1,5-dione

bis-(2-chloroethyl)amine hydrochloride