2-Ethylthio-2,2-diphenylacetic acid

Base Information

• Chemical Name: 2-Ethylthio-2,2-diphenylacetic acid
• CAS No.: 16036-85-4
• Molecular Formula: C₁₆H₁₆O₂S
• Molecular Weight: 272.368
• Hs Code.: 2930909090
• European Community (EC) Number: 620-805-6
• DSSTox Substance ID: DTXSID80352913
• Wikidata: Q82130333
• Mol file: 16036-85-4.mol

Synonyms:2-Ethylthio-2,2-diphenylacetic acid;16036-85-4;2-ethylsulfanyl-2,2-diphenylacetic acid;Benzeneacetic acid, alpha-(ethylthio)-alpha-phenyl-;(ethylsulfanyl)(diphenyl)acetic acid;SCHEMBL503313;DTXSID80352913;NGHYFCDORXGZOD-UHFFFAOYSA-N;2-Ethylthio-2,2-diphenylaceticacid;STR04976;(ethylsulfanyl) (diphenyl)acetic acid;AKOS024307478;2-(Ethylthio)-2,2-diphenylacetic acid;2-(ethylsulfanyl)-2,2-diphenylacetic acid;2-Ethylthio-2,2-diphenylacetic acid, 99%;FT-0637308;J-009715

Chemical Property of 2-Ethylthio-2,2-diphenylacetic acid

Chemical Property:

• Vapor Pressure: 8.08E-07mmHg at 25°C
• Melting Point: 127-129 °C(lit.)
• Refractive Index: 1.606
• Boiling Point: 391.1°C at 760 mmHg
• PKA: 3.22±0.10(Predicted)
• Flash Point: 190.4°C
• PSA: 62.60000
• Density: 1.195g/cm³
• LogP: 3.76790
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 272.08710092
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

98%min ^*data from raw suppliers

2-Ethylthio-2,2-diphenylacetic acid 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

Technology Process of 2-Ethylthio-2,2-diphenylacetic acid

There total 2 articles about 2-Ethylthio-2,2-diphenylacetic acid 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:

Benzilic acid (76-93-7) + ethanethiol (75-08-1) → 2-ethylthio-2,2-diphenylacetic acid (16036-85-4)

Guidance literature:

With sulfuric acid; In acetic acid;

DOI:10.1039/jr9620001445

Reference yield:

→ 2-ethylthio-2,2-diphenylacetic acid (16036-85-4)

Guidance literature:

Benzilsaeure, EtSH/H⁺;

Reference yield:

2-ethylthio-2,2-diphenylacetic acid (16036-85-4) → α-Aethylsulfonyl-α.α-diphenyl-essigsaeure (93435-29-1)

Guidance literature:

With dihydrogen peroxide; In acetic anhydride; acetic acid;

DOI:10.1039/jr9620001445

upstream raw materials:

Benzilic acid

ethanethiol

Downstream raw materials:

α-Aethylsulfonyl-α.α-diphenyl-essigsaeure