2-(2-thienyl)ethyl toluene-p-sulphonate

Base Information

• Chemical Name: 2-(2-thienyl)ethyl toluene-p-sulphonate
• CAS No.: 40412-06-4
• Molecular Formula: C13H14O3S2
• Molecular Weight: 282.384
• Hs Code.: 2934999090
• European Community (EC) Number: 254-911-5
• UNII: DKB7RKL3U8
• DSSTox Substance ID: DTXSID80193429
• Nikkaji Number: J332.414A
• Wikidata: Q72508537
• Mol file: 40412-06-4.mol

Synonyms:2-(2-Thienyl)ethyl toluene-p-sulfonate;2-(2-Thienyl)ethyl tosylate;2-(2-Thiophene)ethanol tosylate;2-(Thien-2-yl)ethyl 4-methylbenzenesulfonate;2-Thiophene ethanol tosylate;2-Thiopheneethanol p-toluenesulfonate;2-Thiopheneethanol,2-(4-methylbenzenesulfonate);

Chemical Property of 2-(2-thienyl)ethyl toluene-p-sulphonate

Chemical Property:

• Appearance/Colour: Off-white solid
• Vapor Pressure: 2.64E-07mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 433.2 °C at 760 mmHg
• Flash Point: 215.8 °C
• PSA: 79.99000
• Density: 1.28 g/cm³
• LogP: 4.08530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 282.03843665
• Heavy Atom Count: 18
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

2-ThiopheneethanolTosylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CS2
• Uses: Intermediate in the preparation of Rotigotine

Technology Process of 2-(2-thienyl)ethyl toluene-p-sulphonate

There total 4 articles about 2-(2-thienyl)ethyl toluene-p-sulphonate 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%

2-thiophenethanol (5402-55-1) + p-toluenesulfonyl chloride (98-59-9) → 2-(2-thienyl)ethyl tosylate (40412-06-4)

Guidance literature:

With triethylamine; at 35 ℃; Cooling with ice;

Reference yield: 86.0%

2-thiophenethanol (5402-55-1) + toluene-4-sulfonic acid (104-15-4) → 2-(2-thienyl)ethyl tosylate (40412-06-4)

Guidance literature:

With triethylamine; In di-isopropyl ether; at 20 ℃; for 50h;

DOI:10.1016/j.tetasy.2010.06.040

Reference yield:

water (7732-18-5) + p-toluenesulfonyl chloride (98-59-9) → 2-(2-thienyl)ethyl tosylate (40412-06-4)

Guidance literature:

With potassium hydrogensulfate; In pyridine;

upstream raw materials:

2-thiophenethanol

p-toluenesulfonyl chloride

water

toluene-4-sulfonic acid

Downstream raw materials:

4-cyclohexylcarbonyl-N-<2-(2-thienyl)ethyl>piperazine-2,6-dione

1-{2-[5-oxo-4-(2-thiophen-2-yl-ethyl)-4,5-dihydro-tetrazol-1-yl]-ethyl}-4-(N-propionyl-anilino)-piperidine-4-carboxylic acid methyl ester

(-)-2-(N-propyl-N-2-thienylethylamino)5-hydroxytetralin

1,2-bis(thiophen-2-yl)ethane

Refernces

• 1、 -. "Preparation method of sulfonic clopidogrel impurity". Paragraph 0012; 0024-0026. . Retrieved 2020/08/02.
• 2、 -. "Method for preparing D-(+)-alpha-(2-thiopheneethylamino)-alpha-(2-chlorophenyl)methyl acetate hydrochloride". Paragraph 0009; 0058; 0064; 0067; 0076; 0083; 0094; 0103. . Retrieved 2018/12/14.