Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, hydrochloride, hydrate (2:2:1)

Base Information

• Chemical Name: Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, hydrochloride, hydrate (2:2:1)
• CAS No.: 135420-40-5
• Molecular Formula: C₁₆H₂₇N₃O*2ClH
• Molecular Weight: 350.332
• DSSTox Substance ID: DTXSID90159339
• Mol file: 135420-40-5.mol

Synonyms:Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, hydrochloride, hydrate (2:2:1);N-(2-(Diethylamino)ethyl)-4-propoxybenzenecarboximidamide hydrochloride, hydrate (2:2:1);135420-40-5;DTXSID90159339;C16H27N3O.ClH.1/2H2O;LS-29424

Chemical Property of Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, hydrochloride, hydrate (2:2:1)

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 313.1920902
• Heavy Atom Count: 21
• Complexity: 269

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C(=NCCN(CC)CC)N.Cl

Technology Process of Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, hydrochloride, hydrate (2:2:1)

There total 4 articles about Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-propoxy-, hydrochloride, hydrate (2:2:1) 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: 97.0%

propoxy-4 benzimidate d'ethyle (3540-94-1) + N,N-diethylethylenediamine (100-36-7) → N-(2-Diethylamino-ethyl)-4-propoxy-benzamidine; hydrochloride (62979-91-3,135420-40-5)

Guidance literature:

In ethanol; rt, 12 h then reflux, 2h;

Reference yield:

propoxy-4 benzimidate d'ethyle (3540-94-1) → N-(2-Diethylamino-ethyl)-4-propoxy-benzamidine; hydrochloride (135420-40-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₄Cl / ethanol / Heating

2: 85 percent / ethanol / Heating

With ammonium chloride; In ethanol;

DOI:10.1016/0223-5234(89)90088-3

Reference yield:

4-cyanophenyl propyl ether (60758-84-1) → N-(2-Diethylamino-ethyl)-4-propoxy-benzamidine; hydrochloride (135420-40-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / HCl / CHCl₃

2: NH₄Cl / ethanol / Heating

3: 85 percent / ethanol / Heating

With hydrogenchloride; ammonium chloride; In ethanol; chloroform;

DOI:10.1016/0223-5234(89)90088-3

upstream raw materials:

propoxy-4 benzimidate d'ethyle

N,N-diethylethylenediamine

4-cyanophenyl propyl ether

4-cyanophenol