Butylthiobenzene

Base Information

• Chemical Name: Butylthiobenzene
• CAS No.: 1126-80-3
• Molecular Formula: C10H14 S
• Molecular Weight: 166.287
• Hs Code.: 2930909090
• European Community (EC) Number: 601-196-6
• NSC Number: 42882
• DSSTox Substance ID: DTXSID00150115
• Nikkaji Number: J100.250C
• Mol file: 1126-80-3.mol

Synonyms:Butylthiobenzene;Phenyl butyl sulfide;butylsulfanylbenzene;Benzene, (butylthio)-;Butyl phenyl sulfide;1126-80-3;Sulfide, butyl phenyl;n-Butyl phenyl sulfide;(n-Butylthio)benzene;(Butylsulfanyl)benzene;phenylbutylthioether;Butyl(phenyl)sulfane;(1-Thiapenyl)benzene;(1-Thiapentyl)benzene;(Butylsulfanyl)benzene #;Benzenethiol, S-n-butyl-;SCHEMBL575895;DTXSID00150115;4-Methyl-1-(1-thiabutyl)benzene;NSC42882;NSC 42882;NSC-42882;AKOS006243104

Chemical Property of Butylthiobenzene

Chemical Property:

• Vapor Pressure: 0.0549mmHg at 25°C
• Boiling Point: 241.7°Cat760mmHg
• Flash Point: 98.3°C
• PSA: 25.30000
• Density: 0.97g/cm³
• LogP: 3.57880
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 166.08162162
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

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

BUTYLTHIOBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC1=CC=CC=C1

Technology Process of Butylthiobenzene

There total 131 articles about Butylthiobenzene 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: 78.0%

homoallyl phenyl sulfide (4285-49-8) → (n-butylthio)benzene (1126-80-3) + crotyl phenyl sulfide (702-04-5)

Guidance literature:

With hydrogen; ruthenium(IV) oxide; In methanol; at 60 ℃; for 48h; under 6080 Torr; other catalyst: (1+)*CH3COO(1-);

DOI:10.1080/00397919608003694

Reference yield: 63.0%

iodobenzene (591-50-4) + n-butanethiol (109-79-5) → dibutyl disulfide (629-45-8) + (n-butylthio)benzene (1126-80-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 0.166667h; microwave irradiation;

DOI:10.1002/adsc.200700289

Reference yield: 39.0%

sodium thiophenolate (930-69-8) + 1-butyl-3-methylimidazolium Tetrafluoroborate (174501-65-6) → 1-Butylimidazole (4316-42-1) + (n-butylthio)benzene (1126-80-3) + methyl-phenyl-thioether (100-68-5)

Guidance literature:

at 225 ℃; microwave irradiation;

DOI:10.1016/j.tetlet.2004.07.050

upstream raw materials:

1-bromo-butane

potassium thiophenolate

1-iodo-butane

sodium thiophenolate

Downstream raw materials:

2-ethyl-2-methyl-3-phenylthiohexanal

2-(1-phenylthiobutyl)-δ-valerolactone

3-tert-butyl-4-phenylthioheptan-2-one

4-phenylthiodecan-6-one

Refernces

• 1、 Rout, Laxmidhar,Saha, Prasenjit,Jammi, Suribabu,Punniyamurthy, Tharmalingam. "Efficient copper(I)-catalyzed C-S cross coupling of thiols with aryl halides in water". . p. 640 - 643. Retrieved 2008.
• 2、 Guo, Fang-Jie,Sun, Jing,Xu, Zhao-Qing,Kühn, Fritz E.,Zang, Shu-Liang,Zhou, Ming-Dong. "C-S cross-coupling of aryl halides with alkyl thiols catalyzed by in-situ generated nickel(II) N-heterocyclic carbene complexes". . p. 11 - 14. Retrieved 2017.
• 3、 Moghaddam, Firouz Matloubi,Pourkaveh, Raheleh,Gholamtajari, Milad. "Nano CoCuFe2O4-catalyzed coupling reaction of arylboronic acid with amines and thiols: An atom-economic and ligand-free route to access unsymmetrical amines and sulfides". . . Retrieved 2018.
• 4、 Migita, Toshihiko,Shimizu, Tomiya,Asami, Yoriyoshi,Shiobara, Yun-ichi,Kato, Yasuki,Kasugi, Masonari. "The Palladium Catalyzed Nucleophilic Substitution of Aryl Halides by Thiolate Anions". . p. 1385 - 1389. Retrieved 1980.
• 5、 Jammi, Suribabu,Barua, Priyanka,Rout, Laxmidhar,Saha, Prasenjit,Punniyamurthy, Tharmalingam. "Efficient ligand-free nickel-catalyzed C-S cross-coupling of thiols with aryl iodides". . p. 1484 - 1487. Retrieved 2008.
• 6、 Goda,Inamoto. "". . p. 1009. Retrieved 1975.
• 7、 Reddy, Vutukuri Prakash,Kumar, Akkilagunta Vijay,Swapna, Kokkirala,Rao, Kakulapati Rama. "Nano indium oxide as a recyclable catalyst for C-S cross-coupling of thiols with aryl halides under ligand free conditions". . p. 1697 - 1700. Retrieved 2009.
• 8、 Swapna, Kokkirala,Murthy, Sabbavarapu Narayana,Jyothi, Mocharla Tarani,Nageswar, Yadavalli Venkata Durga. "Nano-CuFe2O4 as a magnetically separable and reusable catalyst for the synthesis of diaryl/aryl alkyl sulfides via cross-coupling process under ligand-free conditions". . p. 5989 - 5996. Retrieved 2011.
• 9、 Thomas, Anns Maria,Sherin,Asha, Sujatha,Manojkumar,Anilkumar, Gopinathan. "Exploration of the mechanism and scope of the CuI/DABCO catalysed C–S coupling reaction". supporting information. . Retrieved 2019/12/26.
• 10、 Yamamoto, Yuki,Tanaka, Ryo,Ota, Miyuto,Nishimura, Misaki,Tran, Cong Chi,Kawaguchi, Shin-Ichi,Kodama, Shintaro,Nomoto, Akihiro,Ogawa, Akiya. "Photoinduced syntheses and reactivities of phosphorus-containing interelement compounds". . p. 14708 - 14719. Retrieved 2020/11/13.