2-Phenyl-5-methyl-2-oxazoline

Base Information

• Chemical Name: 2-Phenyl-5-methyl-2-oxazoline
• CAS No.: 23437-02-7
• Molecular Formula: C10H11 N O
• Molecular Weight: 161.203
• NSC Number: 54714
• DSSTox Substance ID: DTXSID20288207
• Nikkaji Number: J402.223H
• ChEMBL ID: CHEMBL2144179
• Mol file: 23437-02-7.mol

Synonyms:MLS002667700;23437-02-7;NSC54714;SCHEMBL1338840;5-methyl-2-phenyl-2-oxazoline;CHEMBL2144179;DTXSID20288207;UWHWRJUMACAJPY-UHFFFAOYSA-N;HMS3079M04;NSC-54714;SMR001557460

Chemical Property of 2-Phenyl-5-methyl-2-oxazoline

Chemical Property:

• Vapor Pressure: 0.0206mmHg at 25°C
• Boiling Point: 259.7°Cat760mmHg
• Flash Point: 92.4°C
• Density: 1.09g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN=C(O1)C2=CC=CC=C2

Technology Process of 2-Phenyl-5-methyl-2-oxazoline

There total 22 articles about 2-Phenyl-5-methyl-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: 90.0%

benzonitrile (100-47-0) + 3-amino-2-propanol (78-96-6,1674-56-2) → 5-Methyl-2-phenyl-2-oxazoline (23437-02-7)

Guidance literature:

With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); sodium acetate; In neat (no solvent); at 100 ℃; for 16h; Glovebox; Inert atmosphere;

DOI:10.1021/acs.joc.5b01382

Reference yield: 83.0%

benzaldehyde (100-52-7) + 3-amino-2-propanol (78-96-6,1674-56-2) → 5-Methyl-2-phenyl-2-oxazoline (23437-02-7)

Guidance literature:

With tert.-butylhydroperoxide; potassium iodide; In dichloromethane; water; at 20 ℃; for 12h; Reagent/catalyst; Solvent;

DOI:10.1039/c4ra08578g

Reference yield: 80.0%

2-phenyl-5-((phenylselanyl)methyl)-4,5-dihydrooxazole (123883-85-2) → 5-Methyl-2-phenyl-2-oxazoline (23437-02-7)

Guidance literature:

With triphenylstannane; 2,2'-azobis(isobutyronitrile); for 3h;

DOI:10.1021/jo00010a045

upstream raw materials:

ethyl benzimidate hydrochloride

3-amino-2-propanol

N-allylbenzamide

N-(2-bromo-propyl)-benzamide

Downstream raw materials:

N-benzamide

N-benzamide

N-((1E,3E)-2-Methyl-penta-1,3-dienyl)-benzamide

N-(2-bromo-propyl)-benzamide