2-(2-Hydroxyethoxy)ethyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2-(2-Hydroxyethoxy)ethyl 4-methylbenzenesulfonate
• CAS No.: 118591-58-5
• Molecular Formula: C11H16O5S
• Molecular Weight: 260.311
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID70460253
• Nikkaji Number: J1.594.576A
• Wikidata: Q82284245
• Mol file: 118591-58-5.mol

Synonyms:118591-58-5;2-(2-Hydroxyethoxy)ethyl 4-methylbenzenesulfonate;Tos-PEG2-OH;PEG3-Tos;Ethanol, 2-(2-hydroxyethoxy)-, 1-(4-Methylbenzenesulfonate);2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethan-1-ol;C11H16O5S;diethylene glycol monotosylate;SCHEMBL564403;DTXSID70460253;KLDLLRZCWYKJBD-UHFFFAOYSA-N;HO-PEG-Tos, MW 1,000;HO-PEG-Tos, MW 3,400;HO-PEG-Tos, MW 5,000;MFCD22574797;AKOS022174896;HY-W090623;AS-70765;BP-20909;BP-26097;BP-26098;BP-26099;CS-0133776;10.14272/KLDLLRZCWYKJBD-UHFFFAOYSA-N;C71595;2-(2-Hydroxyethoxy)ethyl4-methylbenzenesulfonate;2-(2-hydroxyethoxyl)ethyl 4-methylbenzenesulfonate;A901886;doi:10.14272/KLDLLRZCWYKJBD-UHFFFAOYSA-N;A1-08144;J-520444;toluene-4-sulfonic acid 2-(2-hydroxy-ethoxy)ethyl ester

Chemical Property of 2-(2-Hydroxyethoxy)ethyl 4-methylbenzenesulfonate

Chemical Property:

• Boiling Point: 427.4±30.0 °C(Predicted)
• PKA: 14.32±0.10(Predicted)
• PSA: 81.21000
• Density: 1.256±0.06 g/cm3(Predicted)
• LogP: 1.79000
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 260.07184478
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Hydroxyethoxy)ethyl 4-methylbenzenesulfonate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCO

Technology Process of 2-(2-Hydroxyethoxy)ethyl 4-methylbenzenesulfonate

There total 8 articles about 2-(2-Hydroxyethoxy)ethyl 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: 99.0%

p-toluenesulfonyl chloride (98-59-9) + diethylene glycol (111-46-6) → 5-tosyloxy-3-oxapentanol (118591-58-5)

Guidance literature:

With potassium iodide; silver(l) oxide; In dichloromethane; for 10h;

Reference yield: 92.0%

p-toluenesulfonyl chloride (98-59-9) + diethylene glycol (111-46-6) → 5-tosyloxy-3-oxapentanol (118591-58-5) + diethylene glycol ditosylate (7460-82-4)

Guidance literature:

With potassium iodide; silver(l) oxide; In dichloromethane; at 0 ℃; for 0.0833333h;

DOI:10.1021/ol020071y

Reference yield: 61.0%

→ 5-tosyloxy-3-oxapentanol (118591-58-5)

Guidance literature:

With potassium iodide; silver(l) oxide; In dichloromethane; at 0 - 20 ℃; for 16h;

upstream raw materials:

p-toluenesulfonyl chloride

diethylene glycol

2-(2-methoxyethoxy)ethyl alcohol

diethylene glycol ditosylate

Downstream raw materials:

N-<2-(2-hydroxyethoxy)ethyl>-4-methylbenzenesulfonamide

N,N-bis<2-(2-hydroxyethoxy)ethyl>-4-methylbenzenesulfonamide

2-(2-(4-bromophenoxy)ethoxy)ethanol

3,4-bis-[2-(2-hydroxy-ethoxy)-ethoxy]-benzaldehyde