(2,2-Diethoxyethyl)(p-tolyl)sulfane

Base Information

• Chemical Name: (2,2-Diethoxyethyl)(p-tolyl)sulfane
• CAS No.: 51830-50-3
• Molecular Formula: C13H20 O2 S
• Molecular Weight: 240.367
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90426730
• Nikkaji Number: J308.196F
• Wikidata: Q82239556
• Mol file: 51830-50-3.mol

Synonyms:(2,2-Diethoxyethyl)(p-tolyl)sulfane;51830-50-3;p-(Tolylthio)acetaldehyde diethyl acetal;1-(2,2-diethoxyethylsulfanyl)-4-methylbenzene;1-[(2,2-DIETHOXYETHYL)SULFANYL]-4-METHYLBENZENE;4-(Methylphenylthio)acetaldehyde diethyl acetal;SCHEMBL3483258;DTXSID90426730;BCA83050;MFCD00051603;AKOS009158143;(p-Tolylthio)acetaldehyde diethyl acetal;AS-62473;4-Methylphenylthioacetaldehyde diethyl acetal;CS-0453187;FT-0616802;P-(TOLYLTHIO)ACETALDEHYDEDIETHYLACETAL;4-Methylthio-phenoxyacetaldehyde-diethylacetal;(4-Methylphenylthio)acetaldehyde diethyl acetal;(4-methylthiophenoxy)acetaldehyde diethyl acetal;A871157

Chemical Property of (2,2-Diethoxyethyl)(p-tolyl)sulfane

Chemical Property:

• Vapor Pressure: 0.000837mmHg at 25°C
• Refractive Index: 1.5200
• Boiling Point: 314.9°Cat760mmHg
• Flash Point: 144.2°C
• PSA: 43.76000
• Density: 1.03g/cm³
• LogP: 3.48620
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 240.11840105
• Heavy Atom Count: 16
• Complexity: 161

Purity/Quality:

98%Min ^*data from raw suppliers

(2,2-Diethoxyethyl)(p-tolyl)sulfane 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CSC1=CC=C(C=C1)C)OCC

Technology Process of (2,2-Diethoxyethyl)(p-tolyl)sulfane

There total 4 articles about (2,2-Diethoxyethyl)(p-tolyl)sulfane 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: 96.0%

para-thiocresol (106-45-6) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 1,1-diethoxy-2-(4-methylphenylthio)ethane (51830-50-3)

Guidance literature:

With sodium ethanolate; In ethanol; for 5h; Heating;

DOI:10.1016/j.jfluchem.2005.12.024

Reference yield: 81.0%

→ 1,1-diethoxy-2-(4-methylphenylthio)ethane (51830-50-3)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 4h;

Reference yield:

sodium p-thiocresolate (10486-08-5) + chloroacetaldehyde diethyl acetal (621-62-5) → 1,1-diethoxy-2-(4-methylphenylthio)ethane (51830-50-3)

Guidance literature:

With ethanol; at 120 ℃;

upstream raw materials:

sodium p-thiocresolate

Bromoacetaldehyde diethyl acetal

chloroacetaldehyde diethyl acetal

para-thiocresol

Downstream raw materials:

(toluene-4-sulfonyl)-acetaldehyde semicarbazone

(toluene-4-sulfony)acetaldehyde

N-[5-(toluene-4-sulfonyl)-thiazol-2-yl]-acetamide

5-(toluene-4-sulfonyl)-thiazol-2-ylamine

Refernces

• 1、 Cardoso, Marcos Veríssimo de Oliveira,de Oliveira Filho, Gevanio Bezerra,de Siqueira, Lucianna Rabelo Pessoa,Espíndola, José Wanderlan Pontes,Silva, Elany Barbosa da,Mendes, Andresa Pereira de Oliveira,Pereira, Valéria Rêgo Alves,de Castro, Maria Carolina Accioly Brelaz,Ferreira, Rafaela Salgado,Villela, Filipe Silva,Costa, Francielly Morais Rodrigues da,Meira, Cássio Santana,Moreira, Diogo Rodrigo Magalh?es,Soares, Milena Botelho Pereira,Leite, Ana Cristina Lima. "2-(phenylthio)ethylidene derivatives as anti-Trypanosoma cruzi compounds: Structural design, synthesis and antiparasitic activity". . p. 191 - 203. Retrieved 2019/07/16.
• 2、 -. "C-benzo five-membered heteroaromatic aryl glucoside derivative as well as preparation method and application thereof". Paragraph 0073; 0074. . Retrieved 2016/10/08.