4-Isopropyl-2-phenyl-2-oxazoline-5-one

Base Information

• Chemical Name: 4-Isopropyl-2-phenyl-2-oxazoline-5-one
• CAS No.: 5839-93-0
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.241
• Hs Code.: 2934999090
• NSC Number: 364043
• DSSTox Substance ID: DTXSID50320765
• Nikkaji Number: J687.629C
• Mol file: 5839-93-0.mol

Synonyms:5839-93-0;4-Isopropyl-2-phenyl-2-oxazoline-5-one;4-isopropyl-2-phenyloxazol-5(4H)-one;2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one;NSC 364043;4-(1-Methylethyl)-2-phenyl-5(4H)-oxazolone;NSC364043;Oprea1_311556;SCHEMBL8138450;DTXSID50320765;MFCD00563233;AKOS003001732;AKOS016193780;AC-6421;NSC-364043;2-Phenyl-4-isopropyloxazol-5(4H)-one;AS-49589;13,14-DIHYDROPROSTAGLANDINF1ALPHA;CS-0171942;FT-0635875;I59261

Chemical Property of 4-Isopropyl-2-phenyl-2-oxazoline-5-one

Chemical Property:

• Vapor Pressure: 0.00346mmHg at 25°C
• Melting Point: 41-45 °C
• Refractive Index: 1.571
• Boiling Point: 281.9 °C at 760 mmHg
• PKA: 2.50±0.40(Predicted)
• Flash Point: 117.9 °C
• PSA: 38.66000
• Density: 1.15 g/cm³
• LogP: 1.45020
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

4-(1-Methylethyl)-2-phenyl-5(4H)-oxazolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)OC(=N1)C2=CC=CC=C2

Technology Process of 4-Isopropyl-2-phenyl-2-oxazoline-5-one

There total 16 articles about 4-Isopropyl-2-phenyl-2-oxazoline-5-one 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: 100.0%

N-benzoyl-D,L-valine (2901-80-6) → 2-phenyl-4-iso-propyl-4H-oxazolin-5-one (28897-81-6,51127-17-4,85700-33-0,5839-93-0)

Guidance literature:

With chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; at 20 ℃; for 1.03333h; Cooling with ice;

Reference yield: 100.0%

chloroformic acid ethyl ester (541-41-3) + N-benzoyl-D,L-valine (2901-80-6) → 2-phenyl-4-iso-propyl-4H-oxazolin-5-one (28897-81-6,51127-17-4,85700-33-0,5839-93-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 25 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.07.032

Reference yield: 88.0%

N-benzoyl-L-valine (2901-80-6,80394-38-3,5699-79-6) → 2-phenyl-4-iso-propyl-4H-oxazolin-5-one (28897-81-6,51127-17-4,85700-33-0,5839-93-0)

Guidance literature:

With N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate; In dichloromethane; for 1h; Heating;

DOI:10.1055/s-1982-29742

upstream raw materials:

acetic anhydride

N-benzoyl-D,L-valine

2-phenyl-4-isopropylidene-5(4H)oxazolone

N-benzoyl-L-valine

Downstream raw materials:

1-acetyl-4-(4-isopropyl-5-oxo-2-phenyl-4,5-dihydro-oxazol-4-yl)-1,4-dihydro-pyridine

4-Acetyl-4-isopropyl-2-phenyl-2-oxazolin-5-on

4-((E)-3,7-dimethyl-octa-2,6-dienyl)-4-isopropyl-2-phenyl-4H-oxazol-5-one

α-(4-Nitrobenzyl)valin

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 5839-93-0 4-ISOPROPYL-2-PHENYL-2-OXAZOLINE-5-ONE

Send

Send

Metric Ton KG G Pound L ML

Send

Send