Feloprentan

Base Information

• Chemical Name: Feloprentan
• CAS No.: 204267-33-4
• Molecular Formula: C₃₁H₃₂N₂O₆
• Molecular Weight: 528.605
• UNII: 6RW6H4951Z
• DSSTox Substance ID: DTXSID00174371
• Nikkaji Number: J972.569E
• Wikidata: Q27265399
• NCI Thesaurus Code: C80758
• Pharos Ligand ID: WUZLCJMV26XT
• ChEMBL ID: CHEMBL316735
• Mol file: 204267-33-4.mol

Synonyms:LU 224332;LU 302872;LU-224332;LU-302872;LU302872;S-2-(4,6-dimethylpyrimidine-2-yloxy)-3-(2-(3,4-dimethoxyphenyl)ethoxy)-3,3-diphenylpropionic acid

Chemical Property of Feloprentan

Chemical Property:

• Vapor Pressure: 2.21E-19mmHg at 25°C
• Boiling Point: 679.3°Cat760mmHg
• Flash Point: 364.6°C
• PSA: 100.00000
• Density: 1.22g/cm³
• LogP: 5.14570
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 528.22603674
• Heavy Atom Count: 39
• Complexity: 713

Purity/Quality:

95% ^*data from raw suppliers

FELOPRENTAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4=CC(=C(C=C4)OC)OC)C
• Isomeric SMILES: CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4=CC(=C(C=C4)OC)OC)C

Technology Process of Feloprentan

There total 10 articles about Feloprentan 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)-2-hydroxy-3-methoxy-3,3-diphenylpropionic acid (178306-52-0,178306-49-5) → Feloprentan (204267-33-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 55.8 g / sodium methoxide / dimethylformamide

2: 43 g / p-toluenesulfonic acid / CH₂Cl₂ / 5 h / 60 °C

3: 1 N aq. NaOH / dioxane / 2 h / 80 °C

4: LiNH₂ / dimethylformamide / 18 h / Ambient temperature

With sodium hydroxide; lithium amide; sodium methylate; toluene-4-sulfonic acid; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm9910425

Reference yield:

4,6-dimethyl-2-methylsulfonylpyrimidine (35144-22-0) + 3-<2-(3,4-dimethoxyphenyl)ethoxy>-2-hydroxy-3,3-diphenylpropionic acid (204268-05-3) → Lu 224332 (204267-33-4)

Guidance literature:

With lithium amide; In N,N-dimethyl-formamide; for 18h; Ambient temperature;

DOI:10.1021/jm9910425

Reference yield:

(S)-2-hydroxy-3-methoxy-3,3-diphenyl propionic acid (178306-51-9,178306-49-5) → Feloprentan (204267-33-4)

Guidance literature:

Multi-step reaction with 5 steps

2: 55.8 g / sodium methoxide / dimethylformamide

3: 43 g / p-toluenesulfonic acid / CH₂Cl₂ / 5 h / 60 °C

4: 1 N aq. NaOH / dioxane / 2 h / 80 °C

5: LiNH₂ / dimethylformamide / 18 h / Ambient temperature

With sodium hydroxide; lithium amide; sodium methylate; toluene-4-sulfonic acid; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm9910425

upstream raw materials:

4,6-dimethyl-2-methylsulfonylpyrimidine

3-<2-(3,4-dimethoxyphenyl)ethoxy>-2-hydroxy-3,3-diphenylpropionic acid

3,3-diphenyloxirane-2-carboxylic acid methyl ester

3-<2-(3,4-dimethoxyphenyl)ethoxy>-2-hydroxy-3,3-diphenylpropionic acid methyl ester