N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester

Base Information

• Chemical Name: N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester
• CAS No.: 331746-65-7
• Molecular Formula: C22H24N2O4
• Molecular Weight: 380.444
• DSSTox Substance ID: DTXSID90470773
• Wikidata: Q82298946
• Mol file: 331746-65-7.mol

Synonyms:331746-65-7;N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester;Methyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylamino]acetate;Methyl 2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)amino)acetate;{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzylamino}-acetic acid methyl ester hydrochloride;SCHEMBL6342542;DTXSID90470773;FT-0671944

Chemical Property of N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester

Chemical Property:

• Melting Point: 61-65°C
• Boiling Point: 549.6±60.0 °C(Predicted)
• PKA: 6.46±0.20(Predicted)
• PSA: 73.59000
• Density: 1.165±0.06 g/cm3(Predicted)
• LogP: 3.92500
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 380.17360725
• Heavy Atom Count: 28
• Complexity: 462

Purity/Quality:

97% ^*data from raw suppliers

N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycineMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CNCC(=O)OC

Technology Process of N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester

There total 4 articles about N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester 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:

{[1-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-meth-(E)-ylidene]-amino}-acetic acid methyl ester (951403-91-1) → {4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]benzylamino}acetic acid methyl ester (331746-65-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 25 ℃; for 3.5h;

DOI:10.1021/jm0496436

Reference yield:

4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzaldehyde (103788-59-6) → {4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]benzylamino}acetic acid methyl ester (331746-65-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N; 4A molecular sieves; MgSO₄ / methanol / 12 h / 25 °C

2: 4.48 g / NaBH₄ / methanol / 3.5 h / 0 - 25 °C

With sodium tetrahydroborate; 4 A molecular sieve; magnesium sulfate; triethylamine; In methanol;

DOI:10.1021/jm0496436

Reference yield:

(5-methyl-2-phenyloxazol-4-yl)ethanol (103788-65-4) → {4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]benzylamino}acetic acid methyl ester (331746-65-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 100 percent / Et₃N / CH₂Cl₂ / 1 h / 25 °C

2: 71 percent / K₂CO₃ / acetonitrile / 24 h / Heating

3: Et₃N; 4A molecular sieves; MgSO₄ / methanol / 12 h / 25 °C

4: 4.48 g / NaBH₄ / methanol / 3.5 h / 0 - 25 °C

With sodium tetrahydroborate; 4 A molecular sieve; magnesium sulfate; potassium carbonate; triethylamine; In methanol; dichloromethane; acetonitrile;

DOI:10.1021/jm0496436

upstream raw materials:

{[1-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-meth-(E)-ylidene]-amino}-acetic acid methyl ester

4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzaldehyde

(5-methyl-2-phenyloxazol-4-yl)ethanol

2-(2-phenyl-5-methyloxazole-4-yl)ethyl methanesulfonate

Downstream raw materials:

N-[(4-methoxyphenoxy)carbonyl]-N-[[4-[2-(5-methyl-2-phenyl-4-oxazolyl)-ethoxy]phenyl]methyl]glycine methyl ester

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Refernces