Ethyl 2-(p-tolylthio)acetate

Base Information

• Chemical Name: Ethyl 2-(p-tolylthio)acetate
• CAS No.: 14738-27-3
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.297
• Hs Code.: 2930909090
• NSC Number: 115071
• DSSTox Substance ID: DTXSID20297278
• Nikkaji Number: J361.328C
• Wikidata: Q82038299
• Mol file: 14738-27-3.mol

Synonyms:ethyl 2-(p-tolylthio)acetate;14738-27-3;ethyl 2-[(4-methylphenyl)sulfanyl]acetate;p-Tolylsulfanyl-acetic acid ethyl ester;ethyl 2-(4-methylphenyl)sulfanylacetate;NSC115071;4-Methyl-(phenylthio) acetic acid ethyl ester;ethyl2-(p-tolylthio)acetate;SCHEMBL3162185;DTXSID20297278;(p-Tolylthio)acetic acid ethyl ester;AKOS005100394;AM86613;NSC 115071;NSC-115071;4-Methyl-(phenylthio)acetic acid ethyl ester;CS-0318514;7X-0925;Aceticacid,2-[(4-methylphenyl)thio]-,ethyl ester

Chemical Property of Ethyl 2-(p-tolylthio)acetate

Chemical Property:

• Vapor Pressure: 0.00196mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 291.3 °C at 760 mmHg
• Flash Point: 129 °C
• PSA: 51.60000
• Density: 1.11 g/cm³
• LogP: 2.65020
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-(p-tolylthio)acetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(p-tolylthio)acetate

There total 19 articles about Ethyl 2-(p-tolylthio)acetate 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%

di(p-tolyl) disulfide (103-19-5) + ethyl acetoacetate (141-97-9) → ethyl (p-tolylthio)acetate (14738-27-3)

Guidance literature:

With oxygen; copper(II) acetate monohydrate; caesium carbonate; at 130 ℃; for 16h; Sealed tube;

DOI:10.1002/adsc.201300566

Reference yield: 96.0%

diazoacetic acid ethyl ester (623-73-4) + para-thiocresol (106-45-6) → ethyl (p-tolylthio)acetate (14738-27-3)

Guidance literature:

With 5,10,15,20-tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride; In dichloromethane; at 20 ℃; for 0.0166667h;

DOI:10.1002/chem.200701885

Reference yield: 96.0%

di(p-tolyl) disulfide (103-19-5) + diethyl malonate (105-53-3) → ethyl (p-tolylthio)acetate (14738-27-3)

Guidance literature:

With oxygen; copper(II) acetate monohydrate; caesium carbonate; In acetonitrile; at 130 ℃; for 16h; Sealed tube;

DOI:10.1002/adsc.201300566

upstream raw materials:

diazoacetic acid ethyl ester

para-thiocresol

chloroacetic acid ethyl ester

1-ethoxy-1-p-tolylsulfanyl-ethene

Downstream raw materials:

2-[(4-methylphenyl)thio]acetic acid

(toluene-4-sulfonyl)-acetic acid ethyl ester

α,α-dichloromethyl p-tolyl sulfoxide

Ethyl α-fluoro-α-(p-tolylthio)acetate