Benzenepropanoic acid, b-[(2-carboxyethyl)thio]-a-hydroxy-2-(8-phenyloctyl)-, (aR,bS)-

Base Information

• Chemical Name: Benzenepropanoic acid, b-[(2-carboxyethyl)thio]-a-hydroxy-2-(8-phenyloctyl)-, (aR,bS)-
• CAS No.: 108116-15-0
• Molecular Formula: C₂₆H₃₄O₅S
• Molecular Weight: 458.619
• Mol file: 108116-15-0.mol

Synonyms:Benzenepropanoicacid, b-[(2-carboxyethyl)thio]-a-hydroxy-2-(8-phenyloctyl)-,[S-(R*,S*)]-; SKF 104373

Chemical Property of Benzenepropanoic acid, b-[(2-carboxyethyl)thio]-a-hydroxy-2-(8-phenyloctyl)-, (aR,bS)-

Chemical Property:

• PSA: 120.13000
• LogP: 5.50690

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepropanoic acid, b-[(2-carboxyethyl)thio]-a-hydroxy-2-(8-phenyloctyl)-, (aR,bS)-

There total 4 articles about Benzenepropanoic acid, b-[(2-carboxyethyl)thio]-a-hydroxy-2-(8-phenyloctyl)-, (aR,bS)- 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:

((+/-)-trans)-Methyl 3-<2-(8-phenyloctyl)phenyl>oxiranecarboxylate (108082-09-3,120379-10-4,120427-72-7,145987-15-1) → (2R,3S)-3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2-(8-phenyl-octyl)-phenyl]-propionic acid (108116-15-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) Et₃N, 2.) NaOMe / 1.) MeOH, RT, 18 h, 2.) MeOH, RT

2: NaOH / methanol / Ambient temperature

With sodium hydroxide; sodium methylate; triethylamine; In methanol;

DOI:10.1021/jm00389a001

Reference yield:

2-(8-phenyloctyl) benzaldehyde (96964-45-3) → (2R,3S)-3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2-(8-phenyl-octyl)-phenyl]-propionic acid (108116-15-0)

Guidance literature:

Multi-step reaction with 4 steps

1: NaOMe / diethyl ether / 2.5 h / 0 °C

2: Et₃N / methanol / 18 h / Ambient temperature

3: NaOH / methanol / Ambient temperature

With sodium hydroxide; sodium methylate; triethylamine; In methanol; diethyl ether;

DOI:10.1021/jm00389a001

Reference yield:

methyl-α-hydroxy-β-[(2-(methoxycarbonyl)ethyl)thio]-2-(8-phenyloctyl)benzenepropanoate (120427-74-9) → (2R,3S)-3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2-(8-phenyl-octyl)-phenyl]-propionic acid (108116-15-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / methanol / Ambient temperature

With sodium hydroxide; In methanol;

DOI:10.1021/jm00389a001

upstream raw materials:

2(S)-hydroxy-3(R)-(2-carboxyethylthio)-3-[2(8-phenyloctyl)phenyl]-propanoic acid

2-(8-phenyloctyl) benzaldehyde

((+/-)-trans)-Methyl 3-<2-(8-phenyloctyl)phenyl>oxiranecarboxylate

methyl-α-hydroxy-β-[(2-(methoxycarbonyl)ethyl)thio]-2-(8-phenyloctyl)benzenepropanoate