2-Ethoxyethyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2-Ethoxyethyl 4-methylbenzenesulfonate
• CAS No.: 17178-11-9
• Molecular Formula: C11H16 O4 S
• Molecular Weight: 244.312
• Hs Code.: 2909499000
• European Community (EC) Number: 666-751-7
• DSSTox Substance ID: DTXSID10399598
• Nikkaji Number: J32.720D
• Wikidata: Q82202242
• Mol file: 17178-11-9.mol

Synonyms:2-ethoxyethyl 4-methylbenzenesulfonate;17178-11-9;2-ETHOXYETHYL P-TOLUENESULFONATE;2-ethoxyethyl 4-methylbenzene-1-sulfonate;p-toluenesulfonic-acid-(2-ethoxyethyl)-ester;SCHEMBL244712;DTXSID10399598;HXXNTEDKEYTYPD-UHFFFAOYSA-N;(2-ethoxy)ethyl p-toluenesulphonate;2-ethoxyethyl4-methylbenzenesulfonate;2-ETHOXYETHYLP-TOLUENESULFONATE;AKOS005111037;p-Toluenesulfonic acid 2-ethoxyethyl ester;BB 0254645;CS-0257595;EN300-6740858

Chemical Property of 2-Ethoxyethyl 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 0.002Pa at 25℃
• Boiling Point: 107 °C(Press: 0.075 Torr)
• PSA: 60.98000
• Density: 1.164±0.06 g/cm3(Predicted)
• LogP: 2.81760
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 244.07693016
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethoxyethyl 4-methylbenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCOS(=O)(=O)C1=CC=C(C=C1)C
• Uses: 2-Ethoxyethyl 4-Methylbenzenesulfonate is used in preparation of nerve-specific fluorophore formulations for direct and systemic administration.

Technology Process of 2-Ethoxyethyl 4-methylbenzenesulfonate

There total 2 articles about 2-Ethoxyethyl 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: 100.0%

2-ethoxy-ethanol (110-80-5) + p-toluenesulfonyl chloride (98-59-9) → 2-ethoxyethyl p-toluenesulfonate (17178-11-9)

Guidance literature:

With pyridine; at 0 ℃;

DOI:10.1016/0223-5234(91)90118-7

Reference yield:

→ 2-ethoxyethyl p-toluenesulfonate (17178-11-9)

Guidance literature:

Reference yield: 90.0%

2-ethoxyethyl p-toluenesulfonate (17178-11-9) + 2-[1-(2-{4-[1-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-1-methylethyl]phenyl}ethyl)piperidin-4-yl]-1-(2-ethoxyethyl)-1H-benzimidazole → 2-(2-(4-(2-(4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)propan-2-yl)-4,4-dimethyl-4,5-dihydrooxazole (202189-77-3)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In dimethyl sulfoxide; at 5 - 25 ℃; Solvent; Temperature; Reagent/catalyst;

upstream raw materials:

2-ethoxy-ethanol

p-toluenesulfonyl chloride

Downstream raw materials:

toluene-4-sulfonic acid-[N-(2-ethoxy-ethyl)-4-(4-nitro-phenylsulfanyl)-anilide]

(2-ethoxy-ethyl)-(3,4-dichloro-benzyl)-amine

N-benzyl-2-ethoxyethanamine

(2-ethoxy-ethyl)-(2-chloro-benzyl)-amine

Refernces

• 1、 Butler et al.. "-". . p. 575,577. Retrieved 1935.
• 2、 -. "Glucopyranosyl derivative and application thereof in medicines". Paragraph 0599; 0600; 0601; 0602; 0603. . Retrieved 2016/10/08.