N-(4-ethoxyphenyl)imidodicarbonimidic diamide

Base Information

• Chemical Name: N-(4-ethoxyphenyl)imidodicarbonimidic diamide
• CAS No.: 43191-42-0
• Molecular Formula: C₁₀H₁₅N₅O
• Molecular Weight: 221.262
• DSSTox Substance ID: DTXSID001251810
• Mol file: 43191-42-0.mol

Synonyms:43191-42-0;N-(4-ethoxyphenyl)imidodicarbonimidic diamide;Imidodicarbonimidic diamide, N-(4-ethoxyphenyl)-;SCHEMBL4099843;DTXSID001251810;HMS1595P15;STK107829;AKOS002224798

Chemical Property of N-(4-ethoxyphenyl)imidodicarbonimidic diamide

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 221.12766012
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)N=C(N)N=C(N)N

Technology Process of N-(4-ethoxyphenyl)imidodicarbonimidic diamide

There total 2 articles about N-(4-ethoxyphenyl)imidodicarbonimidic diamide 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:

N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) + 4-Ethoxyaniline (156-43-4) → p-Ethoxyphenylbiguanide (43191-42-0)

Guidance literature:

With hydrogenchloride; at 105 ℃;

Reference yield:

4-ethoxyaniline hydrochloride (637-56-9) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → p-Ethoxyphenylbiguanide (43191-42-0)

Guidance literature:

In ethyl acetate; Heating;

Reference yield: 51.0%

3-oxo-4-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-butyric acid ethyl ester + p-Ethoxyphenylbiguanide (43191-42-0) → N-(4-ethoxyphenyl)-N'-[4-(1-phenyl-1H-1,2,3,4-tetrazol-5-ylsulfanylmethyl)-6-oxo-1,6-dihydropyrimidin-2-yl]guanidine

Guidance literature:

In methanol; at 18 - 25 ℃;

DOI:10.1007/s11176-005-0218-x

upstream raw materials:

N-Cyanoguanidine

4-Ethoxyaniline

4-ethoxyaniline hydrochloride

Downstream raw materials:

6-(4-Aethoxy-anilino)-4-amino-1.3.5-triazin

amino-p-phenetidino-[1,3,5]triazine-2-carboxylic acid ethyl ester

amino-p-phenetidino-[1,3,5]triazine-2-carboxylic acid