N'-hydroxy-3,4,5-trimethoxybenzenecarboximidamide

Base Information

• Chemical Name: N'-hydroxy-3,4,5-trimethoxybenzenecarboximidamide
• CAS No.: 1648828-04-9
• Molecular Formula: C₁₀H₁₄N₂O₄
• Molecular Weight: 226.232
• DSSTox Substance ID: DTXSID501201646
• ChEMBL ID: CHEMBL1214556
• Mol file: 1648828-04-9.mol

Synonyms:N'-hydroxy-3,4,5-trimethoxybenzenecarboximidamide;N'-hydroxy-3,4,5-trimethoxybenzene-1-carboximidamide;610255-36-2;n-hydroxy-3,4,5-trimethoxybenzimidamide;1648828-04-9;SCHEMBL5462358;CHEMBL1214556;DTXSID501201646;HMS1667D17;CCG-41226;MFCD00174965;STL100227;AKOS004910987;EN300-112098;SR-01000631318-1;[C(Z)]-N'-Hydroxy-3,4,5-trimethoxybenzenecarboximidamide

Chemical Property of N'-hydroxy-3,4,5-trimethoxybenzenecarboximidamide

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 226.09535693
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=NO)N
• Isomeric SMILES: COC1=CC(=CC(=C1OC)OC)/C(=N/O)/N

Technology Process of N'-hydroxy-3,4,5-trimethoxybenzenecarboximidamide

There total 5 articles about N'-hydroxy-3,4,5-trimethoxybenzenecarboximidamide 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%

3,4,5-trimethoxybenzonitrile (1885-35-4) → N'-hydroxy-3,4,5-trimethoxybenzimidamide (36957-30-9,1648828-04-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; for 19h; Reflux;

DOI:10.1039/d1nj02885e

Reference yield: 90.0%

3,4,5-trimethoxybenzonitrile (1885-35-4) → (Z)-N'-hydroxy-3,4,5-trimethoxybenzimidamide (36957-30-9,1648828-04-9)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; Reflux;

DOI:10.1039/c7nj01766a

Reference yield:

3,4,5-trimethoxy-benzaldehyde (86-81-7) → (Z)-N'-hydroxy-3,4,5-trimethoxybenzimidamide (36957-30-9,1648828-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride / dimethyl sulfoxide / 3 h / 100 °C

2: hydroxylamine hydrochloride; triethylamine / Reflux

With hydroxylamine hydrochloride; triethylamine; In dimethyl sulfoxide;

DOI:10.1039/c7nj01766a

upstream raw materials:

3,4,5-trimethoxybenzonitrile

3,4,5-trimethoxy-benzaldehyde

3,4,5-trimethoxybenzaldehyde oxime

Downstream raw materials:

[5-oxo-3-(3,4,5-trimethoxy-phenyl)-4,5-dihydro-[1,2,4]oxadiazin-6-ylidene]-acetic acid methyl ester

5-oxo-2-(3, 4, 5-trimethoxyphenyl)-5H-chromeno[4,3-d]pyrimidine-3-oxide

3,5-bis(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole