3-(3,3-Dimethyltriazeno)phenylaminocarbonylethylpyridinium chloride

Base Information

• Chemical Name: 3-(3,3-Dimethyltriazeno)phenylaminocarbonylethylpyridinium chloride
• CAS No.: 174752-84-2
• Molecular Formula: C₁₆H₂₀N₅O*Cl
• Molecular Weight: 333.821
• Mol file: 174752-84-2.mol

Synonyms:174752-84-2;3-(3,3-Dimethyltriazeno)phenylaminocarbonylethylpyridinium chloride;1-(3-((3-(3,3-Dimethyl-1-triazenyl)phenyl)amino)-3-oxopropyl)pyridinium chloride;Pyridinium, 1-(3-((3-(3,3-dimethyl-1-triazenyl)phenyl)amino)-3-oxopropyl)-, chloride;N-(3-DIMETHYLAMINODIAZENYLPHENYL)-3-PYRIDIN-1-YL-PROPANAMIDE CHLORIDE;N-[3-(dimethylaminodiazenyl)phenyl]-3-pyridin-1-ium-1-ylpropanamide;chloride;C16H20N5O.Cl;C16-H20-N5-O.Cl;LS-132476

Chemical Property of 3-(3,3-Dimethyltriazeno)phenylaminocarbonylethylpyridinium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 67.26000
• Density: g/cm³
• LogP: 3.88720
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 333.1356380
• Heavy Atom Count: 23
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)N=NC1=CC=CC(=C1)NC(=O)CC[N+]2=CC=CC=C2.[Cl-]

Technology Process of 3-(3,3-Dimethyltriazeno)phenylaminocarbonylethylpyridinium chloride

There total 3 articles about 3-(3,3-Dimethyltriazeno)phenylaminocarbonylethylpyridinium chloride 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: 48.0%

pyridine (110-86-1) + N-[3-(3,3-dimethyltriazeno)phenyl]-β-chloropropionamide (174752-86-4) → (3,3-dimetkyltriazeno)phenylaminocarbonylethylpyridinium chloride (174752-84-2)

Guidance literature:

at 90 - 100 ℃; for 0.25h;

DOI:10.1007/BF02218920

Reference yield:

N-<3-Chlor-propionyl>-m-phenylendiamin (52029-87-5) → (3,3-dimetkyltriazeno)phenylaminocarbonylethylpyridinium chloride (174752-84-2)

Guidance literature:

Multi-step reaction with 3 steps

1: NaNO₂ / aq. HCl / H₂O / 0.5 h / -2 - 0 °C

2: 50 percent / KOH; sodium acetate / H₂O / 3 h / -5 - -2 °C

3: 48 percent / 0.25 h / 90 - 100 °C

With sodium nitrite; hydrogenchloride; potassium hydroxide; sodium acetate; In water; 1: Diazotization / 2: azocombination / 3: Substitution;

DOI:10.1007/BF02218920

Reference yield:

3-(3-chloro-propionylamino)-benzenediazonium; chloride → (3,3-dimetkyltriazeno)phenylaminocarbonylethylpyridinium chloride (174752-84-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / KOH; sodium acetate / H₂O / 3 h / -5 - -2 °C

2: 48 percent / 0.25 h / 90 - 100 °C

potassium hydroxide; sodium acetate; In water; 1: azocombination / 2: Substitution;

DOI:10.1007/BF02218920

upstream raw materials:

pyridine

N-[3-(3,3-dimethyltriazeno)phenyl]-β-chloropropionamide

N-<3-Chlor-propionyl>-m-phenylendiamin