1-(3,4,5-Trimethoxyphenyl)biguanide

Base Information

• Chemical Name: 1-(3,4,5-Trimethoxyphenyl)biguanide
• CAS No.: 1049978-48-4
• Molecular Formula: C₁₁H₁₇N₅O₃
• Molecular Weight: 267.288
• DSSTox Substance ID: DTXSID401185437
• Nikkaji Number: J2.845.739A
• Mol file: 1049978-48-4.mol

Synonyms:SCHEMBL4104324;DTXSID401185437;1-(3,4,5-Trimethoxyphenyl)biguanide;CCG-244741;(1E)-N''-(3,4,5-Trimethoxyphenyl)imidodicarbonimidic diamide;1049978-48-4

Chemical Property of 1-(3,4,5-Trimethoxyphenyl)biguanide

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 267.13313942
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)N=C(N)N=C(N)N

Technology Process of 1-(3,4,5-Trimethoxyphenyl)biguanide

There total 1 articles about 1-(3,4,5-Trimethoxyphenyl)biguanide 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: 89.0%

N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) + 3,4,5-Trimethoxyaniline (24313-88-0) → 3,4,5-trimethoxyphenylbiguanide (1049978-48-4,685113-70-6)

Guidance literature:

In 1,4-dioxane; at 90 ℃; for 0.25h; Microwave irradiation;

DOI:10.1021/jm500784e

Reference yield: 55.0%

dimethyl homophthalate (716-43-8) + 3,4,5-trimethoxyphenylbiguanide (1049978-48-4,685113-70-6) → methyl 2-((4-amino-6-(3,4,5-trimethoxyphenylamino)-1,3,5-triazin-2-yl)methyl)benzoate

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 70 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1021/jm500784e

Reference yield: 48.0%

methyl (2-nitrophenyl)acetate (30095-98-8) + 3,4,5-trimethoxyphenylbiguanide (1049978-48-4,685113-70-6) → 6-(2-nitrobenzyl)-N2-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 70 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1021/jm500784e

upstream raw materials:

N-Cyanoguanidine

3,4,5-Trimethoxyaniline

Downstream raw materials:

6-methyl-N-(2-nitrophenyl)-N'-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

N-(2-nitrophenyl)-6-(trifluoromethyl)-N'-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

N-(2-(4-methyl-6-(3,4,5-trimethoxyphnylamino)-1,3,5-triazin-2-ylamino)phenyl)methanesulfonamide

N-(2-((4-methyl-6-((3,4,5-trimethoxyphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)acetamide