DI-N-BUTYL SULFOXIDE

Base Information

• Chemical Name: DI-N-BUTYL SULFOXIDE
• CAS No.: 2168-93-6
• Molecular Formula: C8H18 O S
• Molecular Weight: 162.296
• Hs Code.: 29041000
• European Community (EC) Number: 218-511-4
• DSSTox Substance ID: DTXSID80176070
• Nikkaji Number: J42.093J
• Wikidata: Q83046401
• Mol file: 2168-93-6.mol

Synonyms:Butane,1,1'-sulfinylbis- (9CI); Butyl sulfoxide (6CI,8CI); 1,1'-Sulfinylbis[butane];Di-n-butyl sulfoxide; Dibutyl sulfoxide; n-Butyl sulfoxide

Chemical Property of DI-N-BUTYL SULFOXIDE

Chemical Property:

• Appearance/Colour: COLOURLESS LOW MELTING CRYSTALLINE SOLID
• Vapor Pressure: 0.0351mmHg at 25°C
• Melting Point: 31-34 °C(lit.)
• Refractive Index: n20/D 1.467(lit.)
• Boiling Point: 250 °C(lit.)
• Flash Point: 121.4°C
• PSA: 36.28000
• Density: 0.832
• LogP: 3.20100
• Sensitive.: Hygroscopic
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 162.10783637
• Heavy Atom Count: 10
• Complexity: 81.3

Purity/Quality:

99% ^*data from raw suppliers

Di-n-butyl sulfoxide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCCS(=O)CCCC
• Uses: It is used as an active pharmaceutical intermediate and in the extraction of thorium(IV) from nitric acid solutions in xylene.

Technology Process of DI-N-BUTYL SULFOXIDE

There total 35 articles about DI-N-BUTYL SULFOXIDE 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%

trifluoroacetic acid (76-05-1) + S,S-di-n-butyl-N-(4-nitrophenyl)imino-λ4-sulfane → butyl sulfoxide (2168-93-6) + 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide (404-27-3) + 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

at 72 ℃; for 72h;

DOI:10.1039/a803039a

Reference yield: 98.0%

Dibutyl sulfide (544-40-1) → N,N'-dimethylbenzylamine (103-83-3) + butyl sulfoxide (2168-93-6)

Guidance literature:

With 2-hydroperoxyhexafluoro-2-propanol; In dichloromethane; at -78 ℃; for 2h;

DOI:10.1016/S0040-4039(00)71446-8

Reference yield: 96.0%

Dibutyl sulfide (544-40-1) → dibutyl sulfone (598-04-9) + butyl sulfoxide (2168-93-6)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In ethanol; for 1h; Ambient temperature;

DOI:10.1246/bcsj.69.2955

upstream raw materials:

n-butyl magnesium bromide

sulfurous acid dibutyl ester

diethyl ether

Dibutyl sulfide

Downstream raw materials:

dibutyl sulfone

perfluoro-1-butanesulfonyl fluoride

1-phenyl-2-hexanone

(S)-2-((R)-Butane-1-sulfinyl)-1,1-diphenyl-pentan-1-ol

Refernces

• 1、 Bhaduri, Sumit,Ghosh, Annoottam,Khwaja, Hanif. "Polymer-supported Oxobis(pentane-2,4-dionato)vanadium(IV) Catalyst for Reactions involving t-Butyl Hydroperoxide". . p. 447 - 451. Retrieved 1981.
• 2、 Wojtaszek-Gurdak, Anna,Ziolek, Maria. "Nb and Zr modified MWW zeolites-characterisation and catalytic activity". . p. 22326 - 22333. Retrieved 2015.
• 3、 Drago, Russell S.,Mateus, Alfredo L. M. L.,Patton, Douglas. "Stoichiometric and catalytic oxidation of organic substrates with in-situ-generated peracids". . p. 5693 - 5696. Retrieved 1996.
• 4、 Baciocchi, Enrico,Del Giacco, Tiziana,Elisei, Fausto,Gerini, Maria Francesca,Guerra, Maurizio,Lapi, Andrea,Liberali, Prisca. "Electron Transfer and Singlet Oxygen Mechanisms in the Photooxygenation of Dibutyl Sulfide and Thioanisole in MeCN Sensitized by N-Methylquinolinium Tetrafluoborate and 9,10-Dicyanoanthracene. The Probable Involvement of a Thiadioxirane Intermediate in Electron Transfer Photooxygenations". . p. 16444 - 16454. Retrieved 2003.
• 5、 Pigot, Thierry,Arbitre, Thomas,Martinez, Hervé,Lacombe, Sylvie. "4-Benzoylbenzoate intercalated in layered double hydroxides: A new catalyst for photo-oxidation of sulfides in solution and in the gas phase". . p. 4047 - 4050. Retrieved 2004.
• 6、 Li, Chifeng,Suzuki, Kosuke,Mizuno, Noritaka,Yamaguchi, Kazuya. "Polyoxometalate LUMO engineering: A strategy for visible-light-responsive aerobic oxygenation photocatalysts". . p. 7127 - 7130. Retrieved 2018.
• 7、 Cheng, Xiuyan,Zhang, Jianling,Liu, Lifei,Zheng, Lirong,Zhang, Fanyu,Duan, Ran,Sha, Yufei,Su, Zhuizhui,Xie, Fei. "Air atmospheric photocatalytic oxidation by ultrathin C,N-TiO2nanosheets". supporting information. p. 1165 - 1170. Retrieved 2021/02/26.
• 8、 Zhang, Junjie,Jiang, Tingting,Mai, Yuliang,Wang, Xi,Chen, Jiazhi,Liao, Bing. "Selective catalytic oxidation of sulfides to sulfoxides or sulfones over amorphous Nb2O5/AC catalysts in aqueous phase at room temperature". . p. 10 - 14. Retrieved 2019/04/29.