Ethyl 4-methylbenzene-1-sulfonate--ethane (1/2)

Base Information

• Chemical Name: Ethyl 4-methylbenzene-1-sulfonate--ethane (1/2)
• CAS No.: 67217-55-4
• Molecular Formula: C49H76O37S
• Molecular Weight: 1289.19
• Hs Code.: 9999999999
• DSSTox Substance ID: DTXSID60704916
• Mol file: 67217-55-4.mol

Synonyms:DTXSID60704916;FT-0698793;A916790;Ethyl 4-methylbenzene-1-sulfonate--ethane (1/2)

Chemical Property of Ethyl 4-methylbenzene-1-sulfonate--ethane (1/2)

Chemical Property:

• Melting Point: 179 °C
• PKA: 12.47±0.70(Predicted)
• PSA: 585.57000
• Density: 1.591g/cm3
• LogP: -12.42820
• Storage Temp.: 0-10°C
• Solubility.: Soluble in DMF, DMSO. Insoluble in water, methanol, chloroform.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 260.14461580
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

98% ^*data from raw suppliers

Mono(6-O-p-tolylsulfonyl)-β-cyclodextrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC.CC.CCOS(=O)(=O)C1=CC=C(C=C1)C
• Uses: Mono(6-O-p-tolylsulfonyl)-β-cyclodextrin (CAS# 67217-55-4) is carbohydrate used in the preparation of electroactive polyaniline/silica hybrid sol-gels. Recently, mono(6-O-p-tolylsulfonyl)-β-cyclodextrin has been proposed for use as a catalyst for atmospheric CO2 fixation by conversion to cuclic carbonate.

Technology Process of Ethyl 4-methylbenzene-1-sulfonate--ethane (1/2)

There total 14 articles about Ethyl 4-methylbenzene-1-sulfonate--ethane (1/2) 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: 88.0%

p-toluenesulfonyl chloride (98-59-9) + β‐cyclodextrin (7585-39-9) → mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin (67217-55-4)

Guidance literature:

With pyridine; at 0 - 20 ℃;

Reference yield: 80.0%

p-toluenesulfonylanhydride (4124-41-8) + β‐cyclodextrin (7585-39-9) → mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin (67217-55-4)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1016/j.molliq.2019.111334

Reference yield: 75.0%

N-tosylimidazole (2232-08-8) + β‐cyclodextrin (7585-39-9) → mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin (67217-55-4)

Guidance literature:

In water; at 20 ℃; for 4h;

DOI:10.1002/anie.202107917

upstream raw materials:

p-toluenesulfonyl chloride

β‐cyclodextrin

p-toluenesulfonylanhydride

N-tosylimidazole

Downstream raw materials:

6^A-(6-aminohexylamino)-6^A-deoxy-β-cyclodextrin

6-deoxy-6-mercapto-β-cyclodextrin

mono-6-deoxy-6-benzylmercapto-β-cyclodextrin

mono<6-(p-tolylseleno)-6-deoxy>-β-cyclodextrin

Refernces

• 1、 Kim, Hwanhee,Yiluo, Hu,Park, Seyeon,Lee, Jae Yung,Cho, Eunae,Jung, Seunho. "Characterization and enhanced antioxidant activity of the cysteinyl β-cyclodextrin-baicalein inclusion complex". . . Retrieved 2016.
• 2、 Amajjahe, Sadik,Choi, Soowhan,Munteanu, Maricica,Ritter, Helmut. "Pseudopolyanions based on poly(NIPAAM-co-β-cyclodextrin methacrylate) and ionic liquids". . p. 3435 - 3437. Retrieved 2008.
• 3、 Adeli, Mohsen,Rashidipour, Marzieh,Sattari, Shabnam,Soleimani, Khadijeh,Tehrani, Abbas Dadkhah. "Fabrication of new generation of co-delivery systems based on graphene-g-cyclodextrin/chitosan nanofiber". . p. 1126 - 1134. Retrieved 2020.
• 4、 Futamura, Akika,Uemura, Asuka,Imoto, Takeshi,Kitamura, Yusuke,Matsuura, Hirotaka,Wang, Chun-Xia,Ichihashi, Toshiki,Sato, Yusuke,Teramae, Norio,Nishizawa, Seiichi,Ihara, Toshihiro. "Rational design for cooperative recognition of specific nucleobases using β-cyclodextrin-modified DNAs and fluorescent ligands on DNA and RNA scaffolds". . p. 10526 - 10535. Retrieved 2013.
• 5、 Chu, Hong,Zhao, Xue,Liu, Shirong,Ni, Zhongbin,Shi, Dongjian,Chen, Mingqing. "Preparation and Stability Evaluation of Size-Controllable PDHCA-β-CD Nanoparticles as Drug Carrier". . p. 1125 - 1132. Retrieved 2017.
• 6、 Yuan, De-Qi,Lu, Jianzhong,Atsumi, Masato,Izuka, Ayako,Kai, Masaaki,Fujita, Kahee. "The first successful investigation into a cyclodextrin-based enzyme model as an efficient catalyst for luminol chemiluminescent reaction.". . p. 730 - 731. Retrieved 2002.
• 7、 Hui, Tsz-Wai,Cui, Jian-Fang,Wong, Man-Kin. "Modular synthesis of propargylamine modified cyclodextrins by a gold(iii)-catalyzed three-component coupling reaction". . p. 14477 - 14480. Retrieved 2017.
• 8、 Lee, Joomin,Ahn, Eunsook,Kim, Seon-Y.,Shin, Yujeong,Ahn, Seunghyun,Sung, Jiha,Kim, Hwanhee,Cho, Eunae,Jung, Seunho,Park, Seyeon. "Inclusion complexes of cysteinyl β-cyclodextrin with baicalein restore collagen synthesis in fibroblast cells following ultraviolet exposure". . p. 4032 - 4043. Retrieved 2019.
• 9、 Ihara, Toshihiro,Wasano, Tsugutoshi,Nakatake, Ryuta,Arslan, Pelin,Futamura, Akika,Jyo, Akinori. "Electrochemical signal modulation in homogeneous solutions using the formation of an inclusion complex between ferrocene and β-cyclodextrin on a DNA scaffold". . p. 12388 - 12390. Retrieved 2011.
• 10、 Yang, Fafu,Zhang, Yingmei,Guo, Hongyu,Lin, Jianrong. "RETRACTED ARTICLE: Novel supramolecular liquid crystal: Synthesis of cyclodextrin-triphenylene column liquid crystal based on click chemistry". . p. 4953 - 4956. Retrieved 2013.