alpha-[2-(Ethylthio)ethyl]-alpha-phenylbenzeneacetic acid

Base Information

• Chemical Name: alpha-[2-(Ethylthio)ethyl]-alpha-phenylbenzeneacetic acid
• CAS No.: 71057-16-4
• Molecular Formula: C₁₈H₂₀O₂S
• Molecular Weight: 300.422
• DSSTox Substance ID: DTXSID601231466
• Mol file: 71057-16-4.mol

Synonyms:DTXSID601231466;alpha-[2-(Ethylthio)ethyl]-alpha-phenylbenzeneacetic acid;71057-16-4

Chemical Property of alpha-[2-(Ethylthio)ethyl]-alpha-phenylbenzeneacetic acid

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 300.11840105
• Heavy Atom Count: 21
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of alpha-[2-(Ethylthio)ethyl]-alpha-phenylbenzeneacetic acid

There total 1 articles about alpha-[2-(Ethylthio)ethyl]-alpha-phenylbenzeneacetic 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: 88.0%

3,3-Diphenyl-dihydro-furan-2-one (956-89-8) + ethanethiol (75-08-1) → 4-(ethylthio)-2,2-diphenylbutyric acid (71057-16-4)

Guidance literature:

With aluminum tri-bromide; for 43.3h; Ambient temperature;

DOI:10.1021/jo00338a020

Reference yield:

4-(ethylthio)-2,2-diphenylbutyric acid (71057-16-4) → methyl 2,2-diphenylbutyrate (79328-68-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / diethyl ether

2: 88.8 percent / Raney Ni / aq. ethanol / 15 h / Heating

nickel; In diethyl ether; ethanol;

DOI:10.1021/jo00338a020

upstream raw materials:

3,3-Diphenyl-dihydro-furan-2-one

ethanethiol

Downstream raw materials:

methyl 2,2-diphenylbutyrate