1-Methyl-3-(4-methylphenyl)sulfonyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)urea

Base Information

• Chemical Name: 1-Methyl-3-(4-methylphenyl)sulfonyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)urea
• CAS No.: 75291-67-7
• Molecular Formula: C₁₈H₂₂N₄O₃S
• Molecular Weight: 374.464
• NSC Number: 111081
• DSSTox Substance ID: DTXSID90996746
• Wikidata: Q82988604
• Mol file: 75291-67-7.mol

Synonyms:75291-67-7;NSC111081;DTXSID90996746;NSC-111081;N-Methyl-N'-(4-methylbenzene-1-sulfonyl)-N-[4-(pyrrolidin-1-yl)pyridin-2-yl]carbamimidic acid

Chemical Property of 1-Methyl-3-(4-methylphenyl)sulfonyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)urea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.32g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 374.14126175
• Heavy Atom Count: 26
• Complexity: 578

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(C)C2=NC=CC(=C2)N3CCCC3

Technology Process of 1-Methyl-3-(4-methylphenyl)sulfonyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)urea

There total 5 articles about 1-Methyl-3-(4-methylphenyl)sulfonyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)urea 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: 76.0%

Tosyl isocyanate (4083-64-1) + Methyl-(4-pyrrolidin-1-yl-pyridin-2-yl)-amine (75291-61-1) → N-methyl-N-<2-(4-(1-pyrrolidinyl))pyridyl>-N'-tosyl urea (75291-67-7)

Guidance literature:

In benzene; at 25 ℃; for 0.5h;

Reference yield:

2-bromo-4-nitropyridine N-oxide (52092-43-0) → N-methyl-N-<2-(4-(1-pyrrolidinyl))pyridyl>-N'-tosyl urea (75291-67-7)

Guidance literature:

Multi-step reaction with 5 steps

1: 73 percent / ethanol / 1 h / 70 - 80 °C

2: 73 percent / 2 h / Heating

3: 84 percent / H₂O / 120 - 130 °C

4: 73 percent / PCl₃ / CHCl₃ / 22 h / Heating

5: 76 percent / benzene / 0.5 h / 25 °C

With phosphorus trichloride; In ethanol; chloroform; water; benzene;

Reference yield:

2-methylamino-4-nitropyridine N-oxide (75291-48-4) → N-methyl-N-<2-(4-(1-pyrrolidinyl))pyridyl>-N'-tosyl urea (75291-67-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 73 percent / 2 h / Heating

2: 84 percent / H₂O / 120 - 130 °C

3: 73 percent / PCl₃ / CHCl₃ / 22 h / Heating

4: 76 percent / benzene / 0.5 h / 25 °C

With phosphorus trichloride; In chloroform; water; benzene;

upstream raw materials:

Tosyl isocyanate

Methyl-(4-pyrrolidin-1-yl-pyridin-2-yl)-amine

2-bromo-4-nitropyridine N-oxide

2-methylamino-4-nitropyridine N-oxide