Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate

Base Information

• Chemical Name: Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate
• CAS No.: 125575-09-9
• Molecular Formula: C24H34N4O6S
• Molecular Weight: 506.623
• DSSTox Substance ID: DTXSID00154794
• Mol file: 125575-09-9.mol

Synonyms:125575-09-9;Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate;DTXSID00154794;C23H30N4O3.CH4O3S;LS-29403;C23-H30-N4-O3.C-H4-O3-S

Chemical Property of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 506.21990599
• Heavy Atom Count: 35
• Complexity: 637

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=NCCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N.CS(=O)(=O)O

Technology Process of Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate

There total 7 articles about Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate 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: 85.0%

2C9H12N2O*2CH4O3S*H2O + <(methylenedioxy-3,4 benzyl)-4 piperazinyl>-2 ethylamine (24220-86-8) → methanesulfonate de N-<<(methylenedioxy-3,4 benzyl)-4 piperazinyl>-2 ethyl> ethoxy-4 benzamidinium (125575-09-9)

Guidance literature:

In ethanol; for 4h; Heating;

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

Reference yield:

1-Piperonylpiperazine (32231-06-4) → methanesulfonate de N-<<(methylenedioxy-3,4 benzyl)-4 piperazinyl>-2 ethyl> ethoxy-4 benzamidinium (125575-09-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / toluene / 3 h / Heating

2: 72 percent / H₂, NH₃ / Raney-Ni / ethanol / 6 h / 70 °C / 90007.2 Torr

3: 85 percent / ethanol / 4 h / Heating

With ammonia; hydrogen; nickel; In ethanol; toluene;

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

Reference yield:

<(methylenedioxy-3,4 benzyl)-4 piperazinyl>-acetonitrile (125575-24-8) → methanesulfonate de N-<<(methylenedioxy-3,4 benzyl)-4 piperazinyl>-2 ethyl> ethoxy-4 benzamidinium (125575-09-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / H₂, NH₃ / Raney-Ni / ethanol / 6 h / 70 °C / 90007.2 Torr

2: 85 percent / ethanol / 4 h / Heating

With ammonia; hydrogen; nickel; In ethanol;

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

upstream raw materials:

<(methylenedioxy-3,4 benzyl)-4 piperazinyl>-2 ethylamine

4-ethoxybenzonitrile

ethoxy-4 benzimidate d'ethyle

4-cyanophenol