N-(3-Imidazol-1-yl-propyl)-4-methyl-benzenesulfonamide

Base Information

• Chemical Name: N-(3-Imidazol-1-yl-propyl)-4-methyl-benzenesulfonamide
• CAS No.: 321531-65-1
• Molecular Formula: C₁₃H₁₇N₃O₂S
• Molecular Weight: 279.363
• DSSTox Substance ID: DTXSID201195975
• ChEMBL ID: CHEMBL258317
• Mol file: 321531-65-1.mol

Synonyms:N-(3-Imidazol-1-yl-propyl)-4-methyl-benzenesulfonamide;N-[3-(1H-imidazol-1-yl)propyl]-4-methylbenzenesulfonamide;ChemDiv2_000756;Cambridge id 5357023;MLS000548265;(3-imidazolylpropyl)[(4-methylphenyl)sulfonyl]amine;CHEMBL258317;SCHEMBL16351172;DTXSID201195975;HMS1371C08;HMS2528F15;CCG-19296;STK080977;AKOS000670822;SMR000171600;AB00082725-01;Z45525965;321531-65-1

Chemical Property of N-(3-Imidazol-1-yl-propyl)-4-methyl-benzenesulfonamide

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 279.10414797
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2

Technology Process of N-(3-Imidazol-1-yl-propyl)-4-methyl-benzenesulfonamide

There total 1 articles about N-(3-Imidazol-1-yl-propyl)-4-methyl-benzenesulfonamide 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: 75.0%

3-(1H-imidazol-1-yl)propan-1-amine (5036-48-6) + p-toluenesulfonyl chloride (98-59-9) → tosylamide-1-propyl imidazole (321531-65-1)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃;

DOI:10.1016/j.bmcl.2007.11.038

Reference yield: 94.0%

tosylamide-1-propyl imidazole (321531-65-1) + 1-bromomethylpyrene (2595-90-6) → C30H28N3O2S(1+)*F6P(1-)

Guidance literature:

tosylamide-1-propyl imidazole; 1-bromomethylpyrene; In acetonitrile; at 90 ℃; for 10h; Inert atmosphere;

With potassium hexafluorophosphate; In methanol; for 3h;

upstream raw materials:

3-(1H-imidazol-1-yl)propan-1-amine

p-toluenesulfonyl chloride