2-Oxo-1-phenylcyclohexanepropionic acid

Base Information

• Chemical Name: 2-Oxo-1-phenylcyclohexanepropionic acid
• CAS No.: 2819-68-3
• Molecular Formula: C15H18 O3
• Molecular Weight: 246.306
• Hs Code.: 2918300090
• Mol file: 2819-68-3.mol

Synonyms:Cyclohexanepropionicacid, 2-oxo-1-phenyl- (6CI,7CI,8CI)

Chemical Property of 2-Oxo-1-phenylcyclohexanepropionic acid

Chemical Property:

• Vapor Pressure: 2.49E-08mmHg at 25°C
• Boiling Point: 434.8°C at 760 mmHg
• Flash Point: 230.9°C
• PSA: 54.37000
• Density: 1.149g/cm³
• LogP: 2.93230

Purity/Quality:

99% ，98% ^*data from raw suppliers

3-(2-Oxo-1-phenylcyclohexyl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Oxo-1-phenylcyclohexanepropionic acid

There total 6 articles about 2-Oxo-1-phenylcyclohexanepropionic 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: 85.0%

2-(2'-Cyano-ethyl)-2-phenyl-cyclohexan-1-on (32231-10-0) → 3-(2-oxo-1-phenyl-cyclohexyl)-propionic acid (2819-68-3)

Guidance literature:

With hydrogenchloride; water; acetic acid; at 20 ℃; for 16h; Reflux; Inert atmosphere;

Reference yield:

→ 3-(2-oxo-1-phenyl-cyclohexyl)-propionic acid (2819-68-3)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1021/ja01164a019 DOI:10.1021/ja01145a020

Reference yield:

(RS)-2-phenylcyclohexanone (1444-65-1) → 3-(2-oxo-1-phenyl-cyclohexyl)-propionic acid (2819-68-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,4-dioxane; triton B surfactant / 3 h / 20 °C

2: hydrogenchloride; water; acetic acid / 16 h / 20 °C / Reflux; Inert atmosphere

With hydrogenchloride; water; acetic acid; In 1,4-dioxane; triton B surfactant;

upstream raw materials:

4a-Phenyl-Δ⁸-octahydro-chinol-2-on

2-(2'-Cyano-ethyl)-2-phenyl-cyclohexan-1-on

(RS)-2-phenylcyclohexanone

Downstream raw materials:

(Z)-methyl 1-(4-(N'-(3-(2-oxo-1-phenylcyclohexyl)propanoyloxy)carbamimidoyl)benzyl)azetidine-3-carboxylate

N-(2-hydroxy-2-(4-(5-(2-(1-phenylcyclohexyl)ethyl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)-β-alanine

methyl 1-(4-(5-(2-(2-oxo-1-phenylcyclohexyl)ethyl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate

1-(4-(5-(2-(1-phenylcyclohexyl)ethyl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid

Refernces

• 1、 -. "SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS". Page/Page column 36-37. . Retrieved 2012/04/10.