4-Methyl-N-[(phenanthridin-6-YL)methyl]benzene-1-sulfonamide

Base Information

• Chemical Name: 4-Methyl-N-[(phenanthridin-6-YL)methyl]benzene-1-sulfonamide
• CAS No.: 113518-45-9
• Molecular Formula: C21H18N2O2S
• Molecular Weight: 362.452
• DSSTox Substance ID: DTXSID20551887
• Wikidata: Q82431775
• Mol file: 113518-45-9.mol

Synonyms:113518-45-9;DTXSID20551887;4-METHYL-N-[(PHENANTHRIDIN-6-YL)METHYL]BENZENE-1-SULFONAMIDE

Chemical Property of 4-Methyl-N-[(phenanthridin-6-YL)methyl]benzene-1-sulfonamide

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 362.10889899
• Heavy Atom Count: 26
• Complexity: 565

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=NC3=CC=CC=C3C4=CC=CC=C42

Technology Process of 4-Methyl-N-[(phenanthridin-6-YL)methyl]benzene-1-sulfonamide

There total 7 articles about 4-Methyl-N-[(phenanthridin-6-YL)methyl]benzene-1-sulfonamide 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: 13.0%

6-(chloromethyl)phenanthridine (40484-36-4) + 4-methylbenzensulphonamide potassium salt (29281-83-2) → N,N-bis-phenanthridin-6-ylmethyl-toluene-4-sulfonamide (115173-64-3) + 6-(p-tosylamidomethyl)phenanthridine (113518-45-9)

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 1h;

DOI:10.1016/S0040-4020(01)81684-7

Reference yield: 10.0%

1,3-dimethyl-6-methylamino-1H-pyrimidine-2,4-dione (5770-42-3) + 2-tosyl-1,2,3,12b-tetrahydroimidazol<1,5-f>phenanthridine (97511-51-8) → 1,3,5-trimethyl-6-methylamino-1H-pyrimidine-2,4-dione (97511-53-0) + 6-(p-tosylamidomethyl)phenanthridine (113518-45-9)

Guidance literature:

With trifluoroacetic acid; In acetonitrile; for 0.5h; Heating;

DOI:10.1039/C39870000720

Reference yield:

6-(chloromethyl)phenanthridine (40484-36-4) → 6-(p-tosylamidomethyl)phenanthridine (113518-45-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / dimethylformamide / 0.25 h / 80 °C

2: 1.) hydrazine monohydrate 2.) HCl / 1.) ethanol, reflux 2.) ethanol, reflux, 2h

3: triethylamine / CH₂Cl₂ / Ambient temperature

With hydrogenchloride; hydrazine hydrate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4020(01)81684-7

upstream raw materials:

6-(chloromethyl)phenanthridine

4-methylbenzensulphonamide potassium salt

1,3-dimethyl-6-methylamino-1H-pyrimidine-2,4-dione

2-tosyl-1,2,3,12b-tetrahydroimidazol<1,5-f>phenanthridine

Downstream raw materials:

N-[2-(1,3-Dimethyl-6-methylamino-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-1-phenanthridin-6-yl-ethyl]-4-methyl-benzenesulfonamide

6-(p-tolylamidomethyl)-5,6-dihydrophenanthridine

C₂₁H₁₉⁽²⁾HN₂O₂S

2-tosyl-1,2,3,12b-tetrahydroimidazol<1,5-f>phenanthridine