Hydron;4-methylbenzenesulfonate

Base Information

• Chemical Name: Hydron;4-methylbenzenesulfonate
• CAS No.: 104-15-4
• Molecular Formula: C7H8O3S
• Molecular Weight: 172.205
• Hs Code.: 2904.90
• Mol file: 104-15-4.mol

Synonyms:hydron;4-methylbenzenesulfonate;SCHEMBL11581865

Chemical Property of Hydron;4-methylbenzenesulfonate

Chemical Property:

• Appearance/Colour: clear colorless to light yellow solution
• Vapor Pressure: 69.8Pa at 20℃
• Melting Point: 106~107 °C
• Refractive Index: 1.3825-1.3845
• Boiling Point: 116 °C
• PKA: -0.43±0.50(Predicted)
• Flash Point: 41 °C
• PSA: 62.75000
• Density: 1.34 g/cm³
• LogP: 2.32250
• Storage Temp.: Flammables area
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.01941529
• Heavy Atom Count: 11
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

p-Toluenesulfonic acid monohydrate 98 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-10
• Safety Statements: 45-26-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].CC1=CC=C(C=C1)S(=O)(=O)[O-]
• Uses: (1) For chemical reagents, but also for dyes, organic synthesis. (2) Used as the intermediates of medicine (such as doxycycline), pesticides (such as dicofol), dyes. Also used in detergents, plastics, coatings and so on. (3) For medicine, pesticides, dyes and detergents, but also for plastics and printing coatings. (4) Widely used in the catalyst synthetic medicine, pesticides, polymerization of the stabilizer and organic synthesis (esters, etc.). Also used as medicine, paint intermediates and resin curing agent.
• Production method: By p-toluenesulfonyl chloride hydrolysis derived. Toluene can also be used as raw materials, sulfonated by sulfuric acid derived.
• Description: p-Toluene sulfonic acid (PTSA) or tosylic acid (TsOH) is an organic compound with the formula CH3C6H4SO3H. It is a white solid that is soluble in water, alcohols, and other polar organic solvents. The 4-CH3C6H4SO2- group is known as tosyl group and is often abbreviated as Ts or Tos. Most often, TsOH refers to the monohydrate, TsOH.H2O. TsOH is a strong organic acid, about a million times stronger than benzoic acid. It is one of the few strong acids that is solid and, hence, conveniently weighed. Also, unlike some strong mineral acids (especially nitric acid, sulfuric acid, and per chloric acid), TsOH is non - oxidizing.

Technology Process of Hydron;4-methylbenzenesulfonate

There total 381 articles about Hydron;4-methylbenzenesulfonate 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:

toluene (108-88-3,15644-74-3,16713-13-6) → 3-methylphenylsulfonyl chloride (1899-93-0) + m-toluenesulfonic acid (617-97-0) + o-toluenesulfonic acid (88-20-0) + toluene-4-sulfonic acid (104-15-4) + p-toluenesulfonyl chloride (98-59-9) + Toluene-2-sulfonyl chloride (133-59-5)

Guidance literature:

With chlorosulfonic acid; at 25 ℃; for 1.5h; Product distribution;

Reference yield:

4-nitrophenyl 4-methylbenzenesulfonate (1153-45-3) + 4-chlorobenzylamine (104-86-9) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-(4-chlorobenzyl)-p-toluenesulfonamide (10504-98-0) + toluene-4-sulfonic acid (104-15-4) + N-(4-chlorobenzyl)-4-nitroaniline

Guidance literature:

In acetonitrile; at 65 ℃; Kinetics;

DOI:10.1021/jo0161835

Reference yield:

4-nitrophenyl 4-methylbenzenesulfonate (1153-45-3) + 4-methoxy-benzylamine (2393-23-9) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (54879-64-0) + toluene-4-sulfonic acid (104-15-4) + N-[(4-methoxyphenyl)methyl]-4-nitroaniline

Guidance literature:

In acetonitrile; at 65 ℃; Kinetics;

DOI:10.1021/jo0161835

upstream raw materials:

p-toluene sulfinic acid

4-methylbenzene diazonium

diethyl ether

di(4-methyl)phenylthiosulfonate

Downstream raw materials:

trans-cyclopentane-1,2-diol 1-tosylate

ethyl α-p-toluenesulfonyloxyacetate

2,2,6-trimethyl-4H-1,3-dioxin-4-one

1,6-dioxa[4,4]spirononane

Refernces

• 1、 Um, Ik-Hwan,Chun, Sun-Mee,Chae, Ok-Mi,Fujio, Mizue,Tsuno, Yuho. "Effect of Amine Nature on Reaction Rate and Mechanism in Nucleophilic Substitution Reactions of 2,4-Dinitrophenyl X-Substituted Benzenesulfonates with Alicyclic Secondary Amines". . p. 3166 - 3172. Retrieved 2004.
• 2、 Lee, Claire,Helmy, Roy,Strulson, Christopher,Plewa, Jolanta,Kolodziej, Elizabeth,Antonucci, Vincent,Mao, Bing,Welch, Christopher J.,Ge, Zhihong,Al-Sayah, Mohammad A.. "Removal of electrophilic potential genotoxic impurities using nucleophilic reactive resins". . p. 1021 - 1026. Retrieved 2010.
• 3、 Hisada et al.. "-". . p. 2814. Retrieved 1972.
• 4、 Zheng, Zhi,Wang, Jianli,Lu, Zhen,Luo, Min,Zhang, Miao,Xu, Lixin,Ji, Jianbing. "Hydrogenolysis of 2-tosyloxy-1,3-propanediol into 1,3-propanediol over Raney Ni catalyst". . p. 385 - 391. Retrieved 2013.
• 5、 Thea, Sergio,Vigo, Daniele,Cevasco, Giorgio. "The quest for sulfoquinone imine intermediates in the reaction of sulfanilic acid derivatives with nucleophiles". . p. 611 - 614. Retrieved 2002.
• 6、 Shefer, Neta,Carmeli, Mira,Rozen, Shlomo. "General, fast, and high yield oxidation of thiols and disulfides to sulfonic and sulfinic acids using HOF·CH3CN". . p. 8178 - 8181. Retrieved 2007.
• 7、 Fritz,Gillette. "-". . p. 1777,1778. Retrieved 1968.
• 8、 Smith, Keith,Hou, Duanjie. "A general and efficient method for the preparation of organic sulfonic acids by insertion of sulfur trioxide into the metal-carbon bond of organolithiums". . p. 1530 - 1532. Retrieved 1996.
• 9、 Chen, Ling-Jen,Burka, Leo T.. "Formation of o-nitrosobenzaldehyde from hydrolysis of o-nitrobenzyl tosylate. Evidence of intramolecular nucleophilic interaction". . p. 5351 - 5354. Retrieved 1998.
• 10、 Challenger,Kipping. "". . p. 773. Retrieved 1910.