1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonamide

Base Information

• Chemical Name: 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonamide
• CAS No.: 30334-69-1
• Molecular Formula: C₄H₂F₉NO₂S
• Molecular Weight: 299.117
• Hs Code.: 2935909099
• European Community (EC) Number: 816-392-9
• UNII: G4V6K37HVR
• DSSTox Substance ID: DTXSID30880251
• Nikkaji Number: J755.099E
• Wikipedia: Perfluorobutane_sulfonamide
• Wikidata: Q65046130
• ChEMBL ID: CHEMBL1076850
• Mol file: 30334-69-1.mol

Synonyms:30334-69-1;Perfluorobutylsulphonamide;Perfluorobutylsulfonamide;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;perfluorobutanesulfonamide;perfluorobutane sulfonamide;FBSA;nonafluorobutanesulfonamide;NONAFLUOROBUTANE-1-SULFONAMIDE;N-Nonafluorobutanesulfonamide;G4V6K37HVR;1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid amide;1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonamide;1,1,2,2,3,3,4,4,4-Nonafluoro-N-butanesulfonamide;1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-;1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide;UNII-G4V6K37HVR;C4F9SO2NH2;perfluoro-1-butanesulfonamide;SCHEMBL2021790;CHEMBL1076850;perfluorobutane sulfonamide, n=4;DTXSID30880251;AMY40847;MFCD11112029;AKOS037621697;F88606;EN300-19468079;Perfluorobutylsulfonamide (perfluorobutane sulfonamide);KPQ

Chemical Property of 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonamide

Chemical Property:

• Melting Point: 67.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 162.7±50.0 °C(Predicted)
• Density: 1.775±0.06 g/cm3(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 298.96625294
• Heavy Atom Count: 17
• Complexity: 390

Purity/Quality:

99%min. ^*data from raw suppliers

Perfluorobutylsulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F

Technology Process of 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonamide

There total 33 articles about 1,1,2,2,3,3,4,4,4-Nonafluorobutane-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: 95.0%

Nonafluorobutanesulfonyl fluoride (375-72-4) → perfluoro-n-butane sulfonamide (30334-69-1)

Guidance literature:

With ammonia; In diethyl ether; at -78 ℃;

Reference yield: 76.0%

tributyl-amine (102-82-9) + perfluorobutanesulfonyl azide (65245-26-3) → perfluoro-n-butane sulfonamide (30334-69-1) + N'-perfluorobutanesulfonyl-N,N-dibutyl-butonamidine

Guidance literature:

In acetonitrile; at 25 ℃; for 1h;

DOI:10.1016/S0040-4020(01)00376-3

Reference yield: 51.0%

indole (120-72-9) + perfluorobutanesulfonyl azide (65245-26-3) → 2-perfluorobutylsulfonimino-3-diazo-indoline + perfluoro-n-butane sulfonamide (30334-69-1)

Guidance literature:

In ethanol; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.jfluchem.2005.03.011

upstream raw materials:

diazomethane

aniline

Nonafluorobutanesulfonyl fluoride

pyrrolidine

Downstream raw materials:

C₄F₉SO₂NHB(C₆H₅)2

N-(nonafluorobutanesulfonyl) methyl phenyl sulfoximine

Refernces

• 1、 Xu, Yong,Zhu, Shizheng. "The reaction of per(poly)fluoroalkanesulfonyl azides with tertiary and secondary amines: Generation and trapping of enamines". . p. 4337 - 4341. Retrieved 2001.
• 2、 Benfodda, Zohra,Guillen, Franck,Romestand, Bernard,Dahmani, Abdelkader,Blancou, Hubert. "Synthesis and investigation of inhibition effect of fluorinated sulfonamide derivatives on carbonic anhydrase". . p. 1225 - 1229. Retrieved 2010.
• 3、 Hernández-Guerra, Daniel,Hlava?ková, Anna,Pramthaisong, Chiranan,Vespoli, Ilaria,Pohl, Radek,Slanina, Tomá?,Jahn, Ullrich. "Photochemical C?H Amination of Ethers and Geminal Difunctionalization Reactions in One Pot". supporting information. p. 12440 - 12445. Retrieved 2019/08/07.