(2S)-2-Ethoxy-3-{4-[2-(10H-phenoxazin-10-YL)ethoxy]phenyl}propanoic acid

Base Information

• Chemical Name: (2S)-2-Ethoxy-3-{4-[2-(10H-phenoxazin-10-YL)ethoxy]phenyl}propanoic acid
• CAS No.: 222834-30-2
• Molecular Formula: C25H25 N O5
• Molecular Weight: 419.477
• Nikkaji Number: J1.611.626B
• Wikidata: Q27088511
• NCI Thesaurus Code: C75192
• Pharos Ligand ID: 9X41QU2HFZKF
• Metabolomics Workbench ID: 150842
• ChEMBL ID: CHEMBL24038
• Mol file: 222834-30-2.mol

Synonyms:(-) DRF 2725;(-)3-(4-(2-(phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoic acid;DRF 2725;DRF-2725;DRF2725;NNC 61-0029;ragaglitazar

Chemical Property of (2S)-2-Ethoxy-3-{4-[2-(10H-phenoxazin-10-YL)ethoxy]phenyl}propanoic acid

Chemical Property:

• Vapor Pressure: 1.15E-15mmHg at 25°C
• Boiling Point: 608.6°C at 760 mmHg
• Flash Point: 321.9°C
• Density: 1.241g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 419.17327290
• Heavy Atom Count: 31
• Complexity: 542

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
• Isomeric SMILES: CCO[C@@H](CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
• Recent ClinicalTrials: A Study to Evaluate Safety and Efficacy of BIIB091 in Participants With Relapsing Forms of Multiple Sclerosis

Technology Process of (2S)-2-Ethoxy-3-{4-[2-(10H-phenoxazin-10-YL)ethoxy]phenyl}propanoic acid

There total 28 articles about (2S)-2-Ethoxy-3-{4-[2-(10H-phenoxazin-10-YL)ethoxy]phenyl}propanoic 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: 96.0%

(+/-)-methyl 3-(4-(2-(10H-phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoate (222834-11-9,222834-41-5) → (-)-2-ethoxy-3-(4-(2-phenoxazin-10-yl-ethoxy)-phenyl)-propionic acid (222834-30-2)

Guidance literature:

With aq. 10percent NaOH; at 25 ℃; for 6h;

DOI:10.1021/jm010143b

Reference yield: 54.0%

[(2S),N(1S)]-3-[4-[2-(phenoxazin-10-yl)ethoxy]phenyl]-2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide (222834-28-8) → ragaglitazar (222834-30-2)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 90 ℃; for 88h;

DOI:10.1021/jm010143b

Reference yield:

Ethyl-(2R/2S)-2-ethoxy 3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate (493031-10-0) → ragaglitazar (222834-30-2)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

(+/-)-methyl 3-(4-(2-(10H-phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoate

[(2S),N(1S)]-3-[4-[2-(phenoxazin-10-yl)ethoxy]phenyl]-2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide

(S)-methyl 3-(4-(2-(10H-phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoate

(S)-methyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate

Downstream raw materials:

[(2S),N(1S)]-3-[4-[2-(phenoxazin-10-yl)ethoxy]phenyl]-2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide

(+/-) 3-[4-[2-(Phenoxazin-10-yl)ethoxy]phenyl]-2-ethoxypropanoic acid, potassium salt

(+/-) 3-[4-[2-(Phenoxazin-10-yl)ethoxy]phenyl]-2-ethoxypropanoic acid, sodium salt