4-(Morpholinosulfonyl)benzonitrile

Base Information

• Chemical Name: 4-(Morpholinosulfonyl)benzonitrile
• CAS No.: 10254-89-4
• Molecular Formula: C11H12N2O3S
• Molecular Weight: 252.294
• European Community (EC) Number: 831-986-8
• DSSTox Substance ID: DTXSID60399700
• Wikidata: Q82202393
• Mol file: 10254-89-4.mol

Synonyms:4-(morpholinosulfonyl)benzonitrile;10254-89-4;4-(morpholin-4-ylsulfonyl)benzonitrile;4-morpholin-4-ylsulfonylbenzonitrile;4-(morpholine-4-sulfonyl)benzonitrile;SCHEMBL5338240;DTXSID60399700;CRMZHVBRNQNLLE-UHFFFAOYSA-N;4-(morpholinosulfonyl)-benzonitrile;AKOS000198312;NCGC00181892-01;Morpholine, 4-[(p-cyanophenyl)sulfonyl]-;FT-0742095;EN300-26756;C14023;A1-25798;Z45515860

Chemical Property of 4-(Morpholinosulfonyl)benzonitrile

Chemical Property:

• PSA: 78.78000
• LogP: 1.59788
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 252.05686342
• Heavy Atom Count: 17
• Complexity: 392

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Morpholinosulfonyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C#N

Technology Process of 4-(Morpholinosulfonyl)benzonitrile

There total 6 articles about 4-(Morpholinosulfonyl)benzonitrile 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: 90.0%

[4-(morpholine-4-sulfonyl)phenyl]methanamine (852399-79-2) → 4-(morpholine-4-sulfonyl)benzonitrile (10254-89-4)

Guidance literature:

With ammonium hydroxide; oxygen; In tert-Amyl alcohol; at 110 ℃; for 15h; under 1500.15 Torr; Time; Autoclave; Green chemistry;

DOI:10.1039/c6ob00184j

Reference yield: 64.0%

→ 4-(morpholine-4-sulfonyl)benzonitrile (10254-89-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

morpholine (110-91-8,99108-56-2) + C7H5NO2S*C6H15N → 4-(morpholine-4-sulfonyl)benzonitrile (10254-89-4)

Guidance literature:

With sodium hypochlorite; In water; at 20 ℃; for 1.5h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1055/s-0035-1560578

upstream raw materials:

morpholine

p-cyanobenzenesulfonyl chloride

[4-(morpholine-4-sulfonyl)phenyl]methanamine

4-iodobenzonitrile

Downstream raw materials:

[4-(morpholine-4-sulfonyl)phenyl]methanamine

4-nitrophenyl N-[[4-(morpholine-4-sulfonyl)phenyl]methyl]carbamate

N-[(4-morpholinosulfonylphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid 4-(morpholine-4-sulfonyl)-benzylamide

Refernces

• 1、 Wang, Xuefeng,Yang, Min,Ye, Shengqing,Kuang, Yunyan,Wu, Jie. "S(vi) in three-component sulfonamide synthesis: Use of sulfuric chloride as a linchpin in palladium-catalyzed Suzuki-Miyaura coupling". . p. 6437 - 6441. Retrieved 2021/05/19.
• 2、 Natte, Kishore,Jagadeesh, Rajenahally V.,Sharif, Muhammad,Neumann, Helfried,Beller, Matthias. "Synthesis of nitriles from amines using nanoscale Co3O4-based catalysts via sustainable aerobic oxidation". supporting information. p. 3356 - 3359. Retrieved 2016/04/09.