Imidodicarbonimidic diamide, N-(1-methylethyl)-N'-(3-(2,4,5-trichlorophenoxy)propoxy)-, hydrochloride

Base Information

• Chemical Name: Imidodicarbonimidic diamide, N-(1-methylethyl)-N'-(3-(2,4,5-trichlorophenoxy)propoxy)-, hydrochloride
• CAS No.: 152662-90-3
• Molecular Formula: C₁₄H₂₀Cl₃N₅O₂
• Molecular Weight: 396.704
• DSSTox Substance ID: DTXSID50934563
• ChEMBL ID: CHEMBL127105
• Mol file: 152662-90-3.mol

Synonyms:N-(3(2,4,5-trichlorophenoxy)propyloxy)-N'-(1-methylethyl)imidocarbonimidicdiamide hydrochloride;PS 15;PS-15;WR 250417;WR-250417

Chemical Property of Imidodicarbonimidic diamide, N-(1-methylethyl)-N'-(3-(2,4,5-trichlorophenoxy)propoxy)-, hydrochloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 534.048°C at 760 mmHg
• Flash Point: 276.783°C
• Density: 1.435g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 395.068258
• Heavy Atom Count: 24
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)N=C(N)N=C(N)NOCCCOC1=CC(=C(C=C1Cl)Cl)Cl
• Isomeric SMILES: CC(C)N=C(N)/N=C(\N)/NOCCCOC1=CC(=C(C=C1Cl)Cl)Cl

Technology Process of Imidodicarbonimidic diamide, N-(1-methylethyl)-N'-(3-(2,4,5-trichlorophenoxy)propoxy)-, hydrochloride

There total 5 articles about Imidodicarbonimidic diamide, N-(1-methylethyl)-N'-(3-(2,4,5-trichlorophenoxy)propoxy)-, 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:

2,4,5-trichlorophenol (95-95-4) → PS-15 (152662-90-3)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. NaOH; tetrabutylammonium hydrogen sulfate / 31 h / 80 - 85 °C / pH 14

2: 2-methoxy-ethanol / 15 h / 60 °C

3: conc. HCl / methanol / 15 h

4: 1,2-dimethoxy-ethane / 3.5 h / Heating

With hydrogenchloride; sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In methanol; 1,2-dimethoxyethane; 2-methoxy-ethanol;

DOI:10.1021/jm010089z

Reference yield:

N-[3-(2,4,5-trichloro-phenoxy)-propoxy]-acetamide (152663-06-4) → PS-15 (152662-90-3)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. HCl / methanol / 15 h

2: 1,2-dimethoxy-ethane / 3.5 h / Heating

With hydrogenchloride; In methanol; 1,2-dimethoxyethane;

DOI:10.1021/jm010089z

Reference yield:

1-bromo-3-(2',4',5'-trichlorophenoxy)propane (29102-72-5) → PS-15 (152662-90-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 2-methoxy-ethanol / 15 h / 60 °C

2: conc. HCl / methanol / 15 h

3: 1,2-dimethoxy-ethane / 3.5 h / Heating

With hydrogenchloride; In methanol; 1,2-dimethoxyethane; 2-methoxy-ethanol;

DOI:10.1021/jm010089z

upstream raw materials:

3-cyano-1-isopropylguanidine

1-bromo-3-(2',4',5'-trichlorophenoxy)propane

2,4,5-trichlorophenol

N-[3-(2,4,5-trichloro-phenoxy)-propoxy]-acetamide