N-(2-hydroxypropyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(2-hydroxypropyl)-4-methylbenzenesulfonamide
• CAS No.: 59724-53-7
• Molecular Formula: C10H15NO3S
• Molecular Weight: 229.3
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30389673
• Mol file: 59724-53-7.mol

Synonyms:N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;59724-53-7;Benzenesulfonamide, N-(2-hydroxypropyl)-4-methyl-;(S)-N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;MFCD02225949;1257237-54-9;Oprea1_444045;Oprea1_747514;SCHEMBL4463262;DTXSID30389673;AKOS009106218;AS-31973;SY017419;CS-0331667;FT-0743258;A869139

Chemical Property of N-(2-hydroxypropyl)-4-methylbenzenesulfonamide

Chemical Property:

• Boiling Point: 383.3±52.0 °C(Predicted)
• PKA: 11.44±0.50(Predicted)
• PSA: 74.78000
• Density: 1.224±0.06 g/cm3(Predicted)
• LogP: 2.12580
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 229.07726451
• Heavy Atom Count: 15
• Complexity: 276

Purity/Quality:

97% ^*data from raw suppliers

N-(2-Hydroxypropyl)-4-methylbenzenesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(C)O

Technology Process of N-(2-hydroxypropyl)-4-methylbenzenesulfonamide

There total 7 articles about N-(2-hydroxypropyl)-4-methylbenzenesulfonamide 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: 98.0%

N-[2-{(cyclohexylideneamino)oxy}propyl]-4-methylbenzenesulfonamide → (±)-N-(2-hydroxypropyl)-4-methylbenzenesulfonamide (59724-53-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 48h;

DOI:10.1039/c4cc05655h

Reference yield: 94.0%

3-amino-2-propanol (78-96-6,1674-56-2) + p-toluenesulfonyl chloride (98-59-9) → (±)-N-(2-hydroxypropyl)-4-methylbenzenesulfonamide (59724-53-7)

Guidance literature:

With triethylamine; In dichloromethane; at -10 - 20 ℃; for 5h;

DOI:10.1002/anie.201403065

Reference yield: 90.0%

3-amino-2-propanol (78-96-6,1674-56-2) + p-toluenesulfonyl chloride (98-59-9) → (±)-N-(2-hydroxypropyl)-4-methylbenzenesulfonamide (59724-53-7) + 1-tosyl-2-methylaziridine (25856-77-3)

Guidance literature:

With trimethylamine hydrochloride; triethylamine; In dichloromethane; toluene; at 0 ℃; for 1h;

DOI:10.3987/com-04-10151

upstream raw materials:

3-amino-2-propanol

p-toluenesulfonyl chloride

propan-1-ol-3-amine

4-toluenesulfonyl azide

Downstream raw materials:

N-1-(3-oxopropyl)-4-methyl-1-benzenesulfonamide

N-(4-methylbenzenesulphonyl)propanamin-2-one