Einecs 200-684-2

Base Information

• Chemical Name: Einecs 200-684-2
• CAS No.: 68-34-8
• Molecular Formula: C13H13 N O2 S
• Molecular Weight: 247.318
• Hs Code.: 2935009090
• Mol file: 68-34-8.mol

Synonyms:EINECS 200-684-2;BRN 1820522;AI3-50021;YDKQMFIFPNBOAT-UHFFFAOYSA-;LS-154154;InChI=1/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10H,1H3,(H,14,15,16)

Chemical Property of Einecs 200-684-2

Chemical Property:

• Vapor Pressure: 5.35E-08mmHg at 25°C
• Melting Point: 102°C
• Refractive Index: 1.6800 (estimate)
• Boiling Point: 425.5°C at 760 mmHg
• PKA: 8.60±0.10(Predicted)
• Flash Point: 211.1°C
• PSA: 54.55000
• Density: 1.18g/cm³
• LogP: 3.94960
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 346

Purity/Quality:

99.9% ^*data from raw suppliers

p-Toluenesulfonanilide ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=NC2=CC=CC=C2)(=O)O
• Uses: p-Toluenesulfonanilide is used as a reagent in the synthesis of several organic compounds including that of new alkynyl-gold(I) complexes which display anti-cancer activity towards several cancer cell lines particularly HT29, IGROV1, HL60 and I407. it was also used in the synthesis of α,β-unsaturated N-sulfonyl imides via oxidation of sulfonyl ynamides catalyzed by zinc catalyst. Softener for acetylcellulose in proportions up to 50%, dyestuff intermediate.

Technology Process of Einecs 200-684-2

There total 141 articles about Einecs 200-684-2 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: 100.0%

N-(2,3-dimethylbut-2-enyl)-4-methoxy-N-phenylbenzenesulfonamide → phenyl toluenesulfonamide (68-34-8)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.333333h;

DOI:10.1055/s-0034-1379428

Reference yield: 100.0%

aniline (62-53-3) + p-toluenesulfonyl chloride (98-59-9) → phenyl toluenesulfonamide (68-34-8)

Guidance literature:

With pyridine; for 16h; Reflux;

DOI:10.1002/ejoc.200900745

Reference yield: 99.0%

bromobenzene (108-86-1,52753-63-6) + toluene-4-sulfonamide (70-55-3) → phenyl toluenesulfonamide (68-34-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; dimethylaminoacetic acid; In N,N-dimethyl-formamide; for 48h; Heating;

DOI:10.1016/j.tetlet.2005.08.149

upstream raw materials:

N-(4-nitrophenyl)-4-methylbenzenesulfonamide

aniline hydrochloride

N-cyano-N-phenyl-p-toluenesulfonamide

acetic anhydride

Downstream raw materials:

N-methyl-N-phenyltoluenesulfonamide

N,N'-butanediyl-bis-toluene-4-sulfonanilide

N-butyl-4-methyl-N-phenylbenzenesulfonamide

N-((4-methylphenyl)sulfonyl)-N-phenyl-beta-alanine

Refernces

• 1、 Li, Yan,Luo, Guo Li,Li, Xiao Xiao,Zhao, Zhi Gang. "NIS-Mediated intermolecular hydroamination of allenamides with imidazole heterocycles: A facile protocol for the synthesis of allylic: N, N -acetals". . p. 16940 - 16947. Retrieved 2018.
• 2、 Chen, Xingyu,Lu, Sixian,Deng, Ping,Chang, Xiaoqiang,Zhao, Yifan,Ma, Yue,Zhang, Dong,Xia, Fei,Yang, Lan,Wang, Jigang,Sun, Peng. "Lewis Acid Regulated Divergent Catalytic Reaction between Quinone Imine Ketals (QIKs) and 1,3-Dicarbonyl Compounds: Switchable Access to Multiple Products Including 2-Aryl-1,3-Dicarbonyl Compounds, Indoles, and Benzofurans". supporting information. p. 94 - 102. Retrieved 2021/10/05.
• 3、 Zhang, Ninghui,Zhang, Chunli,Hu, Xiaoping,Xie, Xin,Liu, Yuanhong. "Nickel-Catalyzed C(sp3)-H Functionalization of Benzyl Nitriles: Direct Michael Addition to Terminal Vinyl Ketones". supporting information. p. 6004 - 6009. Retrieved 2021/07/31.