2-Benzyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine

Base Information

• Chemical Name: 2-Benzyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
• CAS No.: 26939-22-0
• Molecular Formula: C14H19 N O
• Molecular Weight: 217.311
• Hs Code.: 2934999090
• European Community (EC) Number: 248-119-9
• NSC Number: 160536
• DSSTox Substance ID: DTXSID001187231
• Nikkaji Number: J249.086B
• Mol file: 26939-22-0.mol

Synonyms:26939-22-0;2-Benzyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine;2-benzyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine;2-benzyl-5,6-dihydro-4,4,6-trimethyl-1,3(4h)-oxazine;EINECS 248-119-9;4H-1,3-Oxazine,5,6-dihydro-4,4,6-trimethyl-2-(phenylmethyl)-;2-Benzyl-4,4,6-trimethyl-5,6-dihydro-1,3(4H)oxazine;2-Benzyl-5,6-dihydro-4,4,6-trimethyl-4H-1,3-oxazine;5,6-Dihydro-2-benzyl-4,4,6-trimethyl-(4H)-1,3-oxazine;5,6-Dihydro-4,4,6-trimethyl-2-(phenylmethyl)-4H-1,3-oxazine;4H-1,3-Oxazine, 5,6-dihydro-4,4,6-trimethyl-2-(phenylmethyl)-;NSC160536;SCHEMBL11235024;DTXSID001187231;MFCD00014606;AKOS024319029;NSC 160536;NSC-160536;FT-0611304;2-Benzyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine #

Chemical Property of 2-Benzyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine

Chemical Property:

• Vapor Pressure: 0.00212mmHg at 25°C
• Boiling Point: 299.4°Cat760mmHg
• Flash Point: 101.6°C
• PSA: 21.59000
• Density: 1.01g/cm³
• LogP: 2.65060
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CC(N=C(O1)CC2=CC=CC=C2)(C)C

Technology Process of 2-Benzyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine

There total 3 articles about 2-Benzyl-4,4,6-trimethyl-5,6-dihydro-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) + phenylacetonitrile (140-29-4) → 2-benzyl-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine (26939-22-0)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01358a612

Reference yield:

4-amino-4-methylpentan-2-ol (4404-98-2) + 1-(1-methylsulfanyl-2-phenyl-ethylidene)-pyrrolidinium; iodide (73160-83-5) → 2-benzyl-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine (26939-22-0)

Guidance literature:

In tert-butyl alcohol; Heating;

DOI:10.1246/cl.1979.1353

Reference yield:

→ 2-benzyl-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine (26939-22-0)

Guidance literature:

Phenylacetonitril, 2-Methyl-2,4-pentandiol, H2SO4;

DOI:10.1021/jo00941a008

upstream raw materials:

2-methyl-2,4-pentanediol

phenylacetonitrile

4-amino-4-methylpentan-2-ol

1-(1-methylsulfanyl-2-phenyl-ethylidene)-pyrrolidinium; iodide

Downstream raw materials:

3.5-Diphenyl-2-hydroxy-tetrahydrofuran

2,4-Diphenyl-4-hydroxy-butyraldehyd

4,4,6-trimethyl-2-(1-methyl-1-phenyl-propyl)-5,6-dihydro-4H-[1,3]oxazine

4-Methyl-4-phenyl-3-nonanon