Ethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazole-4-acetate

Base Information

• Chemical Name: Ethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazole-4-acetate
• CAS No.: 88352-44-7
• Molecular Formula: C17H14 Cl N O4
• Molecular Weight: 331.755
• DSSTox Substance ID: DTXSID30236996
• Nikkaji Number: J2.212.735G
• Wikidata: Q83119081
• ChEMBL ID: CHEMBL19497
• Mol file: 88352-44-7.mol

Synonyms:ethyl 2-(4-chlorophenyl)-5-(2-furyl)-4-oxzoleacetate;ethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazole-4-acetate;TA 1801;TA-1801

Chemical Property of Ethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazole-4-acetate

Chemical Property:

• Vapor Pressure: 4.84E-09mmHg at 25°C
• Melting Point: 107-108 °C(Solv: ethanol (64-17-5))
• Boiling Point: 471°C at 760 mmHg
• PKA: -1.21±0.26(Predicted)
• Flash Point: 238.6°C
• PSA: 65.47000
• Density: 1.275g/cm³
• LogP: 4.36060
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 331.0611356
• Heavy Atom Count: 23
• Complexity: 400

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(OC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3

Technology Process of Ethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazole-4-acetate

There total 4 articles about Ethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazole-4-acetate 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: 86.0%

ethyl 3-(4-chlorobenzoylamino)-4-(2-furyl)-4-oxobutyrate (88352-43-6) → TA-1801 (88352-44-7)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; for 8h; Ambient temperature;

DOI:10.1021/jm00401a021

Reference yield:

(furan-2-ylcarbonyl)methylamine hydrochloride (88352-86-7) → TA-1801 (88352-44-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / NaHCO₃ / H₂O; ethyl acetate / Ambient temperature

2: 70 percent / NaH / paraffin; dimethylformamide / 1.) -50 - -40 deg C, 20 min, 2.) -40 to 10 deg C, 30 min

3: 86 percent / phosphoryl chloride / dimethylformamide / 8 h / Ambient temperature

With sodium hydride; sodium hydrogencarbonate; trichlorophosphate; In water; ethyl acetate; N,N-dimethyl-formamide; paraffin;

DOI:10.1021/jm00401a021

Reference yield:

4-chloro-benzoyl chloride (122-01-0) → TA-1801 (88352-44-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / NaHCO₃ / H₂O; ethyl acetate / Ambient temperature

2: 70 percent / NaH / paraffin; dimethylformamide / 1.) -50 - -40 deg C, 20 min, 2.) -40 to 10 deg C, 30 min

3: 86 percent / phosphoryl chloride / dimethylformamide / 8 h / Ambient temperature

With sodium hydride; sodium hydrogencarbonate; trichlorophosphate; In water; ethyl acetate; N,N-dimethyl-formamide; paraffin;

DOI:10.1021/jm00401a021

upstream raw materials:

ethyl 3-(4-chlorobenzoylamino)-4-(2-furyl)-4-oxobutyrate

(furan-2-ylcarbonyl)methylamine hydrochloride

4-chloro-benzoyl chloride

N-(4-chlorobenzoyl)-(furan-2-ylcarbonyl)methylamine

Downstream raw materials:

[2-(4-Chloro-phenyl)-5-(5-formyl-furan-2-yl)-oxazol-4-yl]-acetic acid ethyl ester

[2-(4-Chloro-phenyl)-5-furan-2-yl-oxazol-4-yl]-acetic acid dodecyl ester

3-pyridylmethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazoleacetate

n-heptyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-4-oxazolyl]acetate

Refernces

• 1、 -. "Furyloxazolylacetic acid derivatives and processes for preparing same". . . Retrieved 2008/06/13.