Benzenepropanoic acid, beta-((2-carboxyethyl)thio)-2-(8-phenyloctyl)-, (betaS)-

Base Information

• Chemical Name: Benzenepropanoic acid, beta-((2-carboxyethyl)thio)-2-(8-phenyloctyl)-, (betaS)-
• CAS No.: 130465-17-7
• Molecular Formula: C26H34 O4 S
• Molecular Weight: 442.62
• UNII: H28CX8CF0Z
• ChEMBL ID: CHEMBL21595
• Mol file: 130465-17-7.mol

Synonyms:3-(2-carboxyethylthio)-3-(2-(8-phenyloctyl)phenyl)propanoic acid;SK and F 106203;SK and F S-106203;SK and F-S-106203;SK and F-S106203;SKF 106203;SKF S106203;SKF-106203

Chemical Property of Benzenepropanoic acid, beta-((2-carboxyethyl)thio)-2-(8-phenyloctyl)-, (betaS)-

Chemical Property:

• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 442.21778074
• Heavy Atom Count: 31
• Complexity: 504

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(CC(=O)O)SCCC(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@H](CC(=O)O)SCCC(=O)O

Technology Process of Benzenepropanoic acid, beta-((2-carboxyethyl)thio)-2-(8-phenyloctyl)-, (betaS)-

There total 1 articles about Benzenepropanoic acid, beta-((2-carboxyethyl)thio)-2-(8-phenyloctyl)-, (betaS)- 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:

→ (S)-β-[(2-carboxyethyl)thio]-2-(8-phenyloctyl)benzenepropanoic acid (130465-17-7)

Guidance literature:

Reference yield:

(S)-β-[(2-carboxyethyl)thio]-2-(8-phenyloctyl)benzenepropanoic acid (130465-17-7) → methyl-3(S)-[(2-carbomethoxyethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoate (130377-23-0)

Guidance literature:

With hydrogenchloride; In methanol; dichloromethane;

Reference yield:

(S)-β-[(2-carboxyethyl)thio]-2-(8-phenyloctyl)benzenepropanoic acid (130465-17-7) → (E)-3-[2-(8-Phenyl-octyl)-phenyl]-acrylic acid + (S)-3-(2-Carboxy-ethanesulfinyl)-3-[2-(8-phenyl-octyl)-phenyl]-propionic acid

Guidance literature:

With oxygen; In phosphate buffer; at 93 ℃; pH=8; Kinetics;

DOI:10.1211/0022357001774453

Downstream raw materials:

methyl-3(S)-[(2-carbomethoxyethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoate

Refernces