5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine

Base Information

• Chemical Name: 5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine
• CAS No.: 26939-21-9
• Molecular Formula: C13H17 N O
• Molecular Weight: 203.284
• Hs Code.: 2934999090
• European Community (EC) Number: 248-118-3
• DSSTox Substance ID: DTXSID10949719
• Nikkaji Number: J249.085D
• Mol file: 26939-21-9.mol

Synonyms:26939-21-9;5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine;5,6-DIHYDRO-2-PHENYL-4,4,6-TRIMETHYL-1,3(4H)-OXAZINE;4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine;4,4,6-Trimethyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine;EINECS 248-118-3;4H-1,3-Oxazine, 5,6-dihydro-4,4,6-trimethyl-2-phenyl-;DTXSID10949719;MFCD00040463;AKOS024348848;FT-0619822;5,6-Dihydro-2-phenyl-4,4,6-trimethyl-(4H)-1,3-oxazine

Chemical Property of 5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine

Chemical Property:

• Vapor Pressure: 0.00365mmHg at 25°C
• Melting Point: 33-36°C
• Boiling Point: 136-137°C 10mm
• Flash Point: 106.7°C
• PSA: 21.59000
• Density: 1.02g/cm³
• LogP: 2.45620
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

5,6-DIHYDRO-2-PHENYL-4,4,6-TRIMETHYL-1,3(4H)-OXAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(N=C(O1)C2=CC=CC=C2)(C)C

Technology Process of 5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine

There total 5 articles about 5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine 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:

2-methyl-2,4-pentanediol (107-41-5) + benzonitrile (100-47-0) → 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine (26939-21-9)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01358a612

Reference yield:

benzoyl chloride (98-88-4) → 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine (26939-21-9)

Guidance literature:

With potassium hydroxide; Destillieren des Reaktionsprodukts mit Wasserdampf;

Reference yield:

tertiary butyl chloride (507-20-0) + acetaldehyde (75-07-0,9002-91-9) + benzonitrile (100-47-0) → 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine (26939-21-9)

Guidance literature:

With potassium hydroxide; antimonypentachloride; Yield given. Multistep reaction; 2.) ether;

upstream raw materials:

2-methyl-2,4-pentanediol

benzonitrile

tertiary butyl chloride

acetaldehyde

Downstream raw materials:

7,7-dichloro-2,2,4c-trimethyl-6-phenyl-(6rH)-5-oxa-1-aza-bicyclo[4.2.0]octan-8-one

2,2,4-trimethyl-6,7,7-triphenyl-5-oxa-1-aza-bicyclo[4.2.0]octan-8-one

N-(2,2,4-trimethyl-8-oxo-6-phenyl-5-oxa-1-aza-bicyclo[4.2.0]oct-7-yl)-phthalimide

3,4,4,6-tetramethyl-2-phenyl-5,6-dihydro-4H-[1,3]oxazinium; iodide