2-Phenyl-2-oxazoline

Base Information

• Chemical Name: 2-Phenyl-2-oxazoline
• CAS No.: 7127-19-7
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30288157
• Nikkaji Number: J81.331A
• Wikidata: Q72498042
• ChEMBL ID: CHEMBL3323438
• Mol file: 7127-19-7.mol

Synonyms:2-phenyl-2-oxazoline

Chemical Property of 2-Phenyl-2-oxazoline

Chemical Property:

• Vapor Pressure: 0.00644mmHg at 25°C
• Melting Point: 12 °C(lit.)
• Refractive Index: n20/D 1.567(lit.)
• Boiling Point: 280.404 °C at 760 mmHg
• PKA: 4.69±0.50(Predicted)
• Flash Point: 89.634 °C
• PSA: 21.59000
• Density: 1.119 g/cm³
• LogP: 0.89900
• Storage Temp.: Refrigerator
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

2-Phenyl-4,5-dihydrooxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COC(=N1)C2=CC=CC=C2

Technology Process of 2-Phenyl-2-oxazoline

There total 86 articles about 2-Phenyl-2-oxazoline 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: 99.0%

N-(2-chloro-ethyl)-benzamide (26385-07-9) → 2-phenyl-1,3-oxazoline (7127-19-7)

Guidance literature:

With n-butyllithium; naphthalen-1-yl-lithium; 2,3-dibromobenzene; In tetrahydrofuran; hexane; 1.) -78 deg C, 8 h, 2.) -78 deg C to r.t.;

DOI:10.1021/jo00074a025

Reference yield: 98.0%

benzaldehyde (100-52-7) + ethanolamine (141-43-5) → 2-phenyl-1,3-oxazoline (7127-19-7)

Guidance literature:

With N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide; at 20 ℃; for 0.0833333h; Neat (no solvent);

DOI:10.1007/BF03246014

Reference yield: 97.0%

N-(2-hydroxyethyl)-benzamide (18838-10-3) → 2-phenyl-1,3-oxazoline (7127-19-7)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); diisopropyl-carbodiimide; In 1,4-dioxane; for 5h; Heating;

DOI:10.1016/j.tetlet.2004.10.143

upstream raw materials:

1-methyl-4-nitrosobenzene

N-(2-hydroxyethyl)-benzamide

N,N'-dibenzoylselenocystamine

N-(2-Bromo-ethyl)-benzamide

Downstream raw materials:

S-2-(N-benzoylamino)ethyl benzothioathe

2-benzamidoethyl benzoate

N-(2-chloro-ethyl)-4-nitro-dibenzamide

N-(2-chloro-ethyl)-benzamide