2-Chloroethyl p-toluenesulfonate

Base Information

• Chemical Name: 2-Chloroethyl p-toluenesulfonate
• CAS No.: 80-41-1
• Deprecated CAS: 56215-02-2,85426-03-5,344310-40-3
• Molecular Formula: C9H11 Cl O3 S
• Molecular Weight: 234.704
• Hs Code.: 29055900
• European Community (EC) Number: 201-277-2
• NSC Number: 6079
• DSSTox Substance ID: DTXSID20883256
• Nikkaji Number: J48.050I
• Wikidata: Q72450136
• ChEMBL ID: CHEMBL166116
• Mol file: 80-41-1.mol

Synonyms:80-41-1;2-Chloroethyl p-toluenesulfonate;2-Chloroethyl 4-methylbenzenesulfonate;2-Chloroethyl tosylate;2-Chloroethyl p-tosylate;2-Tosyloxyethyl chloride;Ethanol, 2-chloro-, 4-methylbenzenesulfonate;2-Chloroethanol p-toluenesulfonate;p-Toluenesulfonic acid, 2-chloroethyl ester;2-CHLOROETHYLP-TOLUENESULFONATE;2-(p-Toluenesulfonyloxy)ethyl chloride;NSC 6079;Ethanol, 2-chloro-, p-toluenesulfonate;2-chloroethyl-p-toluenesulfonate;p-Toluenesulfonic acid-2-chloroethyl ester;beta-Chloroethyl p-toluenesulfonate;2-Chloroethyl toluene-4-sulphonate;EINECS 201-277-2;2-Chloroethanol 4-methylbenzenesulfonate;BRN 1968816;AI3-02279;2-Chlorethylester kyseliny p-toluensulfonove;2-Chloroethyl para-toluenesulfonate;Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate);.beta.-Chloroethyl p-toluenesulfonate;2-Chlorethylester kyseliny p-toluensulfonove [Czech];MFCD00000970;p-TOLUENESULFONIC ACID, beta-CHLOROETHYL ESTER;beta-Chloroethylester kyseliny p-toluensulfonove [Czech];beta-Chloroethylester kyseliny p-toluensulfonove;p-Toluenesulfonic acid, .beta.-chloroethyl ester;.beta.-Chloroethylester kyseliny p-toluensulfonove;4-11-00-00249 (Beilstein Handbook Reference);p-Toluenesulfonic Acid 2-Chloroethyl Ester;chloroethyltosylate;chloroethyl tosylate;chloroethyl-tosylate;2-chloroethanol tosylate;beta-CHLOROETHYL-p-TOLUENE SULFONATE;2-chloro ethanol tosylate;1-chloro-2-tosyloxyethane;WLN: G2OSWR D1;2-chlorethyltoluen-4-sulfonat;SCHEMBL263231;2-chloroethyl-p-toluensulfonate;CHEMBL166116;2-chloroethyl p-toluensulphonate;2-chloroethyl p-toluenesulphonate;2-chloroethyl-p-toluenesulphonate;ZXNMIUJDTOMBPV-UHFFFAOYSA-;2-chloroethyl-p-toluene sulfonate;2-chloroethyl-p-toluene-sulfonate;2-chloroethyl-paratoluenesulfonate;DTXSID20883256;NSC6079;2-Chloroethyl p-toluene sulfonate;beta-chloroethyl p-toluenesulphonate;NSC-6079;1-chloro-2-p-toluenesulfonyloxyethane;AKOS005258286;(2-chloro-ethyl) toluene-4-sulphonate;2-Chloroethyl p-toluenesulfonate, 97%;2-CHLOROETHYL 4-TOLUENESULFONATE;2-Chloroethyl 4-methylbenzenesulfonate #;MS-20213;2-chloroethyl 4-methylbenzene-1-sulfonate;LS-154164;p-toluenesulfonic acid-beta-chloroethylester;toluene-4-sulfonic acid 2-chloroethyl ester;C2380;CS-0130585;FT-0619529;Toluene-4-sulfonic acid 2-chloro-ethyl ester;D71096;4-methyl-benzenesulfonic acid 2-chloro-ethyl ester;A839904

Chemical Property of 2-Chloroethyl p-toluenesulfonate

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO YELLOW LIQUID
• Vapor Pressure: 4.87E-06mmHg at 25°C
• Melting Point: 157-161℃
• Refractive Index: n20/D 1.529(lit.)
• Boiling Point: 153ºC 0.3 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 51.75000
• Density: 1.294 g/mL at 25 °C(lit.)
• LogP: 3.01990
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 234.0117431
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

98% ^*data from raw suppliers

2-Chloroethyl4-methylbenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 23-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCl
• Uses: 2-Chloroethyl 4-methylbenzenesulfonate is a useful reactant for the synthesis of triphenylethanamine derivatives, and fluorinated carbazole derivatives. 2-Chloroethyl p-toluenesulfonate was used to develop method for the determination of a variety of hydrophobic aromatic sulfonates by micellar electrokinetic chromatography.

Technology Process of 2-Chloroethyl p-toluenesulfonate

There total 9 articles about 2-Chloroethyl p-toluenesulfonate 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%

p-toluenesulfonyl chloride (98-59-9) + 2-chloro-ethanol (107-07-3) → 2-chloroethyl tosylate (80-41-1)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 15.08h;

Reference yield: 95.0%

p-toluenesulfonyl chloride (98-59-9) → 2-chloroethyl tosylate (80-41-1)

Guidance literature:

With 2-chloro-ethanol; at 100 ℃;

Reference yield: 68.0%

1-Bromo-2-chloroethane (107-04-0) + methyl p-toluene sulfonate (80-48-8) → 2-chloroethyl tosylate (80-41-1) + 2-bromoethyl p-toluenesulfonate (19263-21-9)

Guidance literature:

With tetrabutylammomium bromide; at 120 - 135 ℃; for 2h; Product distribution; other alkyl halides and alkyl sulfonates;

DOI:10.1021/jo00259a035

upstream raw materials:

p-toluenesulfonyl chloride

2-chloro-ethanol

chloroethyl chlorosulfate

toluene

Downstream raw materials:

(4-chlorobut-1-yn-1-yl)benzene

2-(2-methylphenyl)-1-chloroethane

1-chloro-2-(p-methyl)phenoxyethan

10-(2-chloroethyl)-10H-phenothiazine

Refernces

Nitrogen-containing naringenin derivatives for reversing multidrug resistance in cancer

10.1016/j.bmc.2020.115798

The study focuses on the synthesis and evaluation of nitrogen-containing naringenin derivatives for their potential to reverse multidrug resistance (MDR) in cancer. The researchers aimed to develop small molecules that could inhibit drug efflux by ABC transporter proteins, particularly P-glycoprotein (P-gp/ABCB1), which is associated with MDR. A series of naringenin derivatives were synthesized through chemical modifications, including O-methylation and the introduction of nitrogen atoms and aromatic moieties at specific positions on the naringenin scaffold. These derivatives were tested for their cytotoxicity and ability to modulate P-gp in human ABCB1-transfected mouse T-lymphoma cells. The most promising compounds were further assessed for their synergistic effects when combined with the anticancer drug doxorubicin. The study also employed in silico approaches to understand the structural basis of the observed MDR-reversal activity. The chemicals used served as potential MDR reversers, helping to combat the resistance of cancer cells to chemotherapeutic drugs, and provided insights into the structural requirements for effective P-gp modulation.

Design and discovery of flavonoid-based HIV-1 integrase inhibitors targeting both the active site and the interaction with LEDGF/p75

10.1016/j.bmc.2014.04.016

The research focuses on the design and discovery of flavonoid-based HIV-1 integrase inhibitors that target both the active site of the enzyme and its interaction with LEDGF/p75. The purpose of this study is to develop novel inhibitors that can combat HIV-1 by inhibiting the viral replication process, specifically the integration of viral DNA into the host genome, which is catalyzed by HIV integrase (IN). The researchers synthesized a series of flavonoid derivatives with the aim of improving the inhibitory activity against IN and disrupting the IN-LEDGF/p75 interaction, which is crucial for viral integration. The study concluded that certain flavonoids, particularly those containing a catechol or β-ketoenol structure, showed potent inhibitory activity against both the catalytic function of IN and the IN-LEDGF/p75 interaction. Notably, the introduction of a hydrophilic morpholine group at the phenolic hydroxyl position resulted in sub- to low-micromolar IN-LEDGF/p75 inhibitory activity. The chemicals used in this process included various flavonoid derivatives, such as quercetin, baicalein, genistein, luteolin, chrysin, apigenin, and naringenin, along with synthetic reagents like acetic anhydride, benzyl bromide, potassium carbonate, and palladium catalysts for the synthesis and modification of these flavonoids.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 80-41-1 2-CHLOROETHYL P-TOLUENESULFONATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send