2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene

Base Information

• Chemical Name: 2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene
• CAS No.: 26939-18-4
• Molecular Formula: C8H15 N O
• Molecular Weight: 141.213
• Hs Code.: 29349990
• European Community (EC) Number: 248-117-8
• DSSTox Substance ID: DTXSID80885377
• Nikkaji Number: J88.466I
• Mol file: 26939-18-4.mol

Synonyms:26939-18-4;2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene;4H-1,3-Oxazine, 5,6-dihydro-2,4,4,6-tetramethyl-;2,4,4,6-Tetramethyl-4,5-dihydro-1,3-oxazine;2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine;2,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazine;5,6-Dihydro-2,4,4,6-tetramethyl-4H-1,3-oxazine;EINECS 248-117-8;5,6-Dihydro-2,4,4,6-tetramethyl-1,3(4H)-oxazine;5,6-Dihydro-2,4,4,6-tetramethyl4H-1,3-oxazine;SCHEMBL5902571;DTXSID80885377;MFCD00014605;AKOS016023883;BS-22795;CS-0128264;FT-0619819;E81478;2,4,4,6-tetramethyl-5,6-dihydro-[1,3]oxazine;2,4,4,6-Tetramethyl-5,6-dihydro-4H-[1,3]oxazine;2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene, 95%

Chemical Property of 2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene

Chemical Property:

• Vapor Pressure: 3.09mmHg at 25°C
• Refractive Index: 1.44-1.444
• Boiling Point: 160.6°Cat760mmHg
• Flash Point: 43.4°C
• PSA: 21.59000
• Density: 0.96g/cm³
• LogP: 1.42780
• Sensitive.: Hygroscopic
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

5,6-DIHYDRO-2,4,4,6-TETRAMETHYL-4H-1,3-OXAZINE Aldrich ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene

There total 22 articles about 2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene 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: 80.0%

4,4,6-trimethyl-1,3,2-dioxathiane-2-oxide (4727-95-1) + acetonitrile (75-05-8,26809-02-9) → 2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine (26939-18-4)

Guidance literature:

With sulfuric acid; In pentane; at 0 ℃; for 2h;

DOI:10.1007/BF01169694

Reference yield: 80.0%

4,4,6-trimethyl-[1,3]dioxane (1123-07-5) + acetonitrile (75-05-8,26809-02-9) → 2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine (26939-18-4)

Guidance literature:

With sulfuric acid; In pentane; at 0 ℃; for 2h;

Reference yield: 75.0%

2-Ethyl-4,4,6-trimethyl-[1,3]dioxane + acetonitrile (75-05-8,26809-02-9) → 2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine (26939-18-4)

Guidance literature:

With sulfuric acid; In pentane; at 0 ℃; for 2h;

upstream raw materials:

2-methyl-2,4-pentanediol

acetonitrile

4,4,6-trimethyl-1,3,2-dioxathiane-2-oxide

4,4,6-trimethyl-[1,3]dioxane

Downstream raw materials:

4,4,6-trimethyl-2-(toluene-4-sulfinylmethyl)-5,6-dihydro-4H-[1,3]oxazine

4-amino-4-methylpentan-2-ol

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

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

Refernces

• 1、 Li, Junjie,Wang, Qi. "Radical addition-coupling polymerization with various nitroso compounds". . p. 810 - 815. Retrieved 2014.
• 2、 Kuznetsov,Brusilovskii, Yu E.. "Reaction of 4,4,6-trimethyl-2-phenyl-1,3,2λ5-dioxarsinane 2-oxide with acetonitrile". . p. 138 - 139. Retrieved 2007/10/03.
• 3、 Kuznetsov,Shvets. "Reaction of Substituted 1,3,2-Dioxaborinanes with Acetonitrile". . p. 1498 - 1500. Retrieved 2007/10/03.