4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline

Base Information

• Chemical Name: 4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
• CAS No.: 84392-32-5
• Molecular Formula: C18H19 N O
• Molecular Weight: 265.355
• Hs Code.: 2934999090
• European Community (EC) Number: 632-891-2
• DSSTox Substance ID: DTXSID90350869
• Nikkaji Number: J1.640.702J
• Wikidata: Q82126957
• Mol file: 84392-32-5.mol

Synonyms:84392-32-5;4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline;4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole;4,4-Dimethyl-2-(4'-methyl-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole;4,4-Dimethyl-2-(4'-methyl[1,1'-biphenyl]-2-yl)-4,5-dihydro-1,3-oxazole;DMT-dT-CPG column, pore size 1000 ??, 0.2 mumol, configured for MerMade;DMT-dT-CPG column, pore size 1000 ??, 50 nmol, configured for MerMade;DMT-dT-CPG column, pore size 500 ??, 0.2 mumol, configured for MerMade;DMT-dT-CPG column, pore size 500 ??, 50 nmol, configured for MerMade;SCHEMBL371;DTXSID90350869;JUNZDJNCZJUDRU-UHFFFAOYSA-N;AKOS000278510;4,4-Dimethyl-2-(4'-methylbiphenyl-2-yl)oxazoline;4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline, 98%;DMT-dT-CPG column, pore size 500 ??, 1 mumol, configured for PerkinElmer;DMT-dT-CPG column, pore size 500 ??, 50 nmol, configured for PerkinElmer;DMT-dT-CPG column, pore size 1000 ??, 0.2 mumol, configured for PerkinElmer;DMT-dT-CPG column, pore size 1000 ??, 1 mumol, configured for PerkinElmer;DMT-dT-CPG column, pore size 500 ??, 0.2 mumol, configured for PerkinElmer;DMT-dT-CPG column, pore size 500 ??, 50 nmol, configured for PerkinElmer 8900;DMT-dT-CPG column, pore size 1000 ??, 0.2 mumol, configured for ABI, configured for PerkinElmer;DMT-dT-CPG column, pore size 1000 ??, 0.2 mumol, configured for PerkinElmer, configured for ABI;DMT-dT-CPG column, pore size 1000 ??, 1 mumol, configured for ABI, configured for PerkinElmer;DMT-dT-CPG column, pore size 1000 ??, 1 mumol, configured for PerkinElmer, configured for ABI;DMT-dT-CPG column, pore size 500 ??, 0.2 mumol, configured for ABI, configured for PerkinElmer;DMT-dT-CPG column, pore size 500 ??, 0.2 mumol, configured for PerkinElmer, configured for ABI;DMT-dT-CPG column, pore size 500 ??, 1 mumol, configured for ABI, configured for PerkinElmer;DMT-dT-CPG column, pore size 500 ??, 1 mumol, configured for PerkinElmer, configured for ABI;DMT-dT-CPG column, pore size 500 ??, 50 nmol, configured for ABI, configured for PerkinElmer;DMT-dT-CPG column, pore size 500 ??, 50 nmol, configured for PerkinElmer, configured for ABI

Chemical Property of 4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline

Chemical Property:

• Melting Point: 45-48 °C(lit.)
• PSA: 21.59000
• LogP: 3.65300
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 265.146664230
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

98%Min ^*data from raw suppliers

DMT-dT-CPG column pore size 500??, 50 nmol, configured for ABI, configured for PerkinElmer ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C3=NC(CO3)(C)C

Technology Process of 4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline

There total 10 articles about 4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-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: 85.0%

2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline (57598-33-1) + para-bromotoluene (106-38-7) → 4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole (84392-32-5)

Guidance literature:

With ammonium chloride; magnesium; In tetrahydrofuran;

Reference yield: 85.0%

4-methylphenylboronic acid (5720-05-8) + 2-(2-bromo-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole (32664-13-4) → 4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole (84392-32-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In tetrahydrofuran; water; at 60 ℃; for 6h; Inert atmosphere;

DOI:10.1080/00397910903162817

Reference yield: 59.0%

2-(2-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole (66464-20-8) + p-tolyllithium (2417-95-0) → 4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole (84392-32-5)

Guidance literature:

In diethyl ether; for 0.25h; Heating;

DOI:10.1016/j.tetlet.2004.08.003

upstream raw materials:

2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

para-methylphenylmagnesium bromide

2-(2-fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

p-tolyllithium

Downstream raw materials:

Br^(1-)*C₅₉H₅₁N₆⁽¹⁺⁾

N-(triephenylmethyl)-5-<4'-(bromomethyl)-biphenyl-2-yl>tetrazole

2-(tetrazol-5-yl)-4'-methyl-1,1'-biphenyl

N-triphenylmethyl-5-(4'-methylbiphenyl-2-yl)tetrazole

Refernces

• 1、 Astley, Demet,Saygi, Hava,Gezer, Sibel,Astley, Stephen T.. "Uncatalysed coupling of an activated aryl chloride with aryllithium and aryl Grignard reagents". . p. 7315 - 7317. Retrieved 2004.
• 2、 -. "1,(3,)5-substituted imidazoles, useful in the treatment of hypertension and methods for their preparation". Paragraph 0171; 0219. . Retrieved 2016/03/04.