Ethyl 2-(benzhydrylthio)acetate

Base Information

• Chemical Name: Ethyl 2-(benzhydrylthio)acetate
• CAS No.: 63547-23-9
• Molecular Formula: C17H18O2S
• Molecular Weight: 286.395
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00458466
• Nikkaji Number: J2.522.490F
• Wikidata: Q82281743
• Mol file: 63547-23-9.mol

Synonyms:63547-23-9;ethyl 2-(benzhydrylthio)acetate;ethyl 2-[(diphenylmethyl)sulfanyl]acetate;Ethyl 2-benzhydrylsulfanylacetate;[(Diphenylmethyl)thio]acetic Acid Ethyl Ester;Ethyl [(diphenylmethyl)sulfanyl]acetate;Aceticacid, 2-[(diphenylmethyl)thio]-, ethyl ester;ethyl2-(benzhydrylthio)acetate;SCHEMBL5273905;DTXSID00458466;USHWCUHXXAVVLF-UHFFFAOYSA-N;MFCD08460223;AKOS015840558;(Diphenylmethyl)thioaceticacidethylester;AF-0022;(Diphenylmethylthio)acetic acid ethyl ester;(Diphenylmethyl)Thio Acetic Acid Ethyl Ester;CS-0364780;FT-0667669;A834411;Aceticacid,2-[(diphenylmethyl)thio]-,ethyl ester;J-520638;ethyl 2-benzhydrylsulfanylacetate;Ethyl 2-(benzhydrylthio)acetate

Chemical Property of Ethyl 2-(benzhydrylthio)acetate

Chemical Property:

• Appearance/Colour: slight-yellow oil
• Vapor Pressure: 4.13E-06mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 384.3 °C at 760 mmHg
• Flash Point: 176.9 °C
• PSA: 51.60000
• Density: 1.131 g/cm³
• LogP: 4.07230
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 286.10275099
• Heavy Atom Count: 20
• Complexity: 263

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

[(Diphenylmethyl)thio]aceticAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSC(C1=CC=CC=C1)C2=CC=CC=C2
• Uses: [(Diphenylmethyl)thio]acetic Acid Ethyl Ester (cas# 63547-23-9) is a compound useful in organic synthesis.

Technology Process of Ethyl 2-(benzhydrylthio)acetate

There total 6 articles about Ethyl 2-(benzhydrylthio)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%

ethanol (64-17-5) + (benzhydrylthio)acetic acid (63547-22-8) → (diphenylmethyl)(ethyl acetate)sulfide (63547-23-9)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1016/j.tetasy.2004.01.039

Reference yield: 90.0%

Diphenylmethane (101-81-5) + ethyl 2-sulfanylacetate (623-51-8) → (diphenylmethyl)(ethyl acetate)sulfide (63547-23-9)

Guidance literature:

With N-Bromosuccinimide; di-tert-butyl peroxide; Bathocuproine; nickel(II) acetate tetrahydrate; In benzene; at 140 ℃; for 24h; Inert atmosphere;

Reference yield:

ethyl 2-sulfanylacetate (623-51-8) + diphenylchloromethane (90-99-3) → (diphenylmethyl)(ethyl acetate)sulfide (63547-23-9)

Guidance literature:

With sodium ethanolate; In ethanol; at 30 - 35 ℃; for 4.25h;

upstream raw materials:

ethanol

(benzhydrylthio)acetic acid

1,1-Diphenylmethanol

ethyl 2-sulfanylacetate

Downstream raw materials:

2-(diphenylmethylthio)acetamide

Modafinil

2-benzyhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide

2-benzyhydrylsulfinyl-N-(4-dimethylaminophenyl)acetamide

Refernces

• 1、 Jung, Jae-Chul,Lee, Yeonju,Son, Jee-Young,Lim, Eunyoung,Jung, Mankil,Oh, Seikwan. "Simple synthesis of modafinil derivatives and their anti-inflammatory activity". . p. 10446 - 10458. Retrieved 2012/11/07.
• 2、 -. "A PROCESS FOR THE PREPARATION OF MODAFINIL". Page/Page column 7. . Retrieved 2008/06/13.