Benzeneacetic acid, 4-(5-ethoxy-4-methyl-2-oxazolyl)-

Base Information

• Chemical Name: Benzeneacetic acid, 4-(5-ethoxy-4-methyl-2-oxazolyl)-
• CAS No.: 80589-79-3
• Molecular Formula: C14H15NO4
• Molecular Weight: 261.277
• DSSTox Substance ID: DTXSID60230422
• Wikidata: Q83110962
• Mol file: 80589-79-3.mol

Synonyms:4-(5-Ethoxy-4-methyl-2-oxazolyl)benzeneacetic acid;Benzeneacetic acid, 4-(5-ethoxy-4-methyl-2-oxazolyl)-;80589-79-3;DTXSID60230422;LS-28789

Chemical Property of Benzeneacetic acid, 4-(5-ethoxy-4-methyl-2-oxazolyl)-

Chemical Property:

• Vapor Pressure: 1.7E-08mmHg at 25°C
• Boiling Point: 439.4°Cat760mmHg
• Flash Point: 219.5°C
• Density: 1.215g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 261.10010796
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C

Technology Process of Benzeneacetic acid, 4-(5-ethoxy-4-methyl-2-oxazolyl)-

There total 4 articles about Benzeneacetic acid, 4-(5-ethoxy-4-methyl-2-oxazolyl)- 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:

4-(cyanomethyl)benzoic acid (50685-26-2) → [4-(5-Ethoxy-4-methyl-oxazol-2-yl)-phenyl]-acetic acid (80589-79-3)

Guidance literature:

Multi-step reaction with 4 steps

1: thionyl chloride / benzene; dimethylformamide / 1 h / Heating

2: benzene / Heating

3: POCl₃ / benzene / Heating

4: 10 percent aq. NaOH / ethanol / Heating

With sodium hydroxide; thionyl chloride; trichlorophosphate; In ethanol; N,N-dimethyl-formamide; benzene;

Reference yield:

[4-(5-Ethoxy-4-methyl-oxazol-2-yl)-phenyl]-acetonitrile (80589-69-1) → [4-(5-Ethoxy-4-methyl-oxazol-2-yl)-phenyl]-acetic acid (80589-79-3)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

Reference yield:

4-cyanomethylbenzoyl chloride (80589-49-7) → [4-(5-Ethoxy-4-methyl-oxazol-2-yl)-phenyl]-acetic acid (80589-79-3)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene / Heating

2: POCl₃ / benzene / Heating

3: 10 percent aq. NaOH / ethanol / Heating

With sodium hydroxide; trichlorophosphate; In ethanol; benzene;

upstream raw materials:

[4-(5-Ethoxy-4-methyl-oxazol-2-yl)-phenyl]-acetonitrile

4-(cyanomethyl)benzoic acid

4-cyanomethylbenzoyl chloride

2-(4-Cyanomethyl-benzoylamino)-propionic acid ethyl ester

Refernces