Ethyl 3,4,5-trimethoxybenzene-1-carboximidate hydrochloride

Base Information

• Chemical Name: Ethyl 3,4,5-trimethoxybenzene-1-carboximidate hydrochloride
• CAS No.: 4156-61-0
• Molecular Formula: C₁₂H₁₇NO₄*ClH
• Molecular Weight: 275.732
• Mol file: 4156-61-0.mol

Synonyms:Ethyl 3,4,5-trimethoxybenzene-1-carboximidate hydrochloride;4156-61-0;6383-98-8;ethyl 3,4,5-trimethoxybenzenecarboximidate;hydrochloride;MFCD12031878;AKOS040767732

Chemical Property of Ethyl 3,4,5-trimethoxybenzene-1-carboximidate hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 275.0924357
• Heavy Atom Count: 18
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=N)C1=CC(=C(C(=C1)OC)OC)OC.Cl

Technology Process of Ethyl 3,4,5-trimethoxybenzene-1-carboximidate hydrochloride

There total 1 articles about Ethyl 3,4,5-trimethoxybenzene-1-carboximidate 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: 95.0%

ethanol (64-17-5) + 3,4,5-trimethoxybenzonitrile (1885-35-4) → 3,4,5-trimethoxybenziminoethylether hydrochloride (4156-61-0)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 0 ℃; for 120h;

Reference yield: 78.0%

3,4,5-trimethoxybenziminoethylether hydrochloride (4156-61-0) → 3,4,5-trimethoxy benzenecarboximidamide hydrochloride (4156-59-6)

Guidance literature:

With ammonia; In methanol; ethanol; at 20 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tet.2014.01.019

Reference yield:

3,4,5-trimethoxybenziminoethylether hydrochloride (4156-61-0) → N1-(2,6-dichlorobenzyliden)-3,4,5-trimethoxybenzamidrazone (107190-53-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 5percent sodium hydroxide; 2.) hydrazine / 2.) diethyl ether, ethanol, 0 deg C, 2 d

2: 66 percent / ethanol / 1 h / Heating

With sodium hydroxide; hydrazine; In ethanol;

upstream raw materials:

ethanol

3,4,5-trimethoxybenzonitrile

Downstream raw materials:

(3,4,5-Trimethoxy-phenyl)-acetic acid N'-[imino-(3,4,5-trimethoxy-phenyl)-methyl]-hydrazide

3,4,5-trimethoxybenzamidrazone

N¹-(2,6-dichlorobenzyliden)-3,4,5-trimethoxybenzamidrazone

C₁₇H₁₈ClN₃O₃

Refernces

• 1、 Sudheendran, Kavitha,Schmidt, Dietmar,Frey, Wolfgang,Conrad, Jürgen,Beifuss, Uwe. "Facile synthesis of 3,5-diaryl-1,2,4-triazoles via copper-catalyzed domino nucleophilic substitution/oxidative cyclization using amidines or imidates as substrates". . p. 1635 - 1645. Retrieved 2014/02/14.
• 2、 Mamolo,Vio,Banfi,Cinco. "Synthesis and antibacterial activity of aminoguanidine and amidrazone derivatives". . p. 467 - 474. Retrieved 2007/10/02.