1-Propyl-3-(p-tolylsulphonyl)urea

Base Information

• Chemical Name: 1-Propyl-3-(p-tolylsulphonyl)urea
• CAS No.: 24570-88-5
• Molecular Formula: C11H16 N2 O3 S
• Molecular Weight: 256.326
• Hs Code.: 2935009090
• European Community (EC) Number: 246-322-7
• UNII: 3L4LV4TY9C
• DSSTox Substance ID: DTXSID70179313
• Nikkaji Number: J286.345F
• Wikidata: Q83049825
• Mol file: 24570-88-5.mol

Synonyms:24570-88-5;1-Propyl-3-(p-tolylsulphonyl)urea;1-Propyl-3-(p-tolylsulfonyl)urea;EINECS 246-322-7;benzenesulfonamide, 4-methyl-n-[(propylamino)carbonyl]-;Benzenesulfonamide, 4-methyl-N-((propylamino)carbonyl)-;4-methyl-N-(propylcarbamoyl)benzenesulfonamide;1-Tosyl-3-propylurea;3L4LV4TY9C;1,2-Propanediol, mononitrate;SCHEMBL14273616;DTXSID70179313;N-Propyl-N'-(p-tolylsulfonyl)urea;STK072710;AKOS005390352;4-Methyl-N-[(propylamino)carbonyl]benzenesulfonamide

Chemical Property of 1-Propyl-3-(p-tolylsulphonyl)urea

Chemical Property:

• Melting Point: 151-152 °C
• PKA: 5.26±0.10(Predicted)
• PSA: 87.14000
• Density: 1.21g/cm³
• LogP: 3.06900
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 256.08816355
• Heavy Atom Count: 17
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

1-PROPYL-3-(P-TOLYLSULFONYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of 1-Propyl-3-(p-tolylsulphonyl)urea

There total 7 articles about 1-Propyl-3-(p-tolylsulphonyl)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: 87.0%

1,3-dipropylurea (623-95-0) + sodium p-toluenesulfonamide (18522-92-4) → propylamine (107-10-8,42939-71-9) + 4-methyl-N-( propylcarbamoyl)benzenesulfonamide (24570-88-5)

Guidance literature:

at 150 ℃; for 6h; Product distribution; other time;;

Reference yield: 86.0%

Propyl isocyanate (110-78-1) + toluene-4-sulfonamide (70-55-3) → 4-methyl-N-( propylcarbamoyl)benzenesulfonamide (24570-88-5)

Guidance literature:

With copper(l) chloride; In nitromethane; at 20 ℃; for 2h; Milling;

DOI:10.1039/c3cc47905f

Reference yield: 82.0%

phenyl N-(n-propyl)carbamate (14549-38-3) + toluene-4-sulfonamide (70-55-3) → 4-methyl-N-( propylcarbamoyl)benzenesulfonamide (24570-88-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; Reflux; Green chemistry;

DOI:10.1039/c7ob00872d

upstream raw materials:

N-(allylcarbamoyl)-4-methylbenzenesulfonamide

Propyl isocyanate

toluene-4-sulfonamide

1,3-dipropylurea

Downstream raw materials:

N-acetyl-(4-methylbenzene)sulfonamide

Refernces

• 1、 Hadianawala, Murtuza,Datta, Bhaskar. "Design and development of sulfonylurea derivatives as zinc metalloenzyme modulators". . p. 8923 - 8929. Retrieved 2016/02/05.
• 2、 Irie, Hiroshi,Nishimura, Masataka,Yoshida, Morihiro,Ibuka, Toshiro. "Lewis Acid Catalysed Preparation of some Carbamates and Sulphonylureas. Application to the Determination of Enantiomeric Purity of Chiral Alcohols". . p. 1209 - 1210. Retrieved 2007/10/02.