1,3,5-Trioxane, 2,4,6-tripropyl-

Base Information

• Chemical Name: 1,3,5-Trioxane, 2,4,6-tripropyl-
• CAS No.: 2396-43-2
• Molecular Formula: C12H24 O3
• Molecular Weight: 216.321
• Hs Code.: 2934999090
• European Community (EC) Number: 219-249-3
• DSSTox Substance ID: DTXSID7062372
• Nikkaji Number: J95.906E
• Mol file: 2396-43-2.mol

Synonyms:2,4,6-Tripropyl-1,3,5-trioxane;2396-43-2;1,3,5-Trioxane, 2,4,6-tripropyl-;Parabutyraldehyde;2,4,6-Tripropyl-s-trioxane;s-Trioxane, 2,4,6-tripropyl-;BRN 0111692;EINECS 219-249-3;5-19-09-00120 (Beilstein Handbook Reference);p-n-Butyraldehyde;SCHEMBL5307400;DTXSID7062372;2,4,6-Tripropyl-1,3,5-trioxane #;LS-157646;EN300-23650751

Chemical Property of 1,3,5-Trioxane, 2,4,6-tripropyl-

Chemical Property:

• Vapor Pressure: 0.0197mmHg at 25°C
• Refractive Index: 1.4410 (estimate)
• Boiling Point: 260.5°Cat760mmHg
• Flash Point: 85.7°C
• PSA: 27.69000
• Density: 0.894g/cm³
• LogP: 3.42840
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 216.17254462
• Heavy Atom Count: 15
• Complexity: 120

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1OC(OC(O1)CCC)CCC

Technology Process of 1,3,5-Trioxane, 2,4,6-tripropyl-

There total 5 articles about 1,3,5-Trioxane, 2,4,6-tripropyl- 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: 93.0%

butyraldehyde (123-72-8) → 2,4,6-tris(n-propyl)-1,3,5-trioxane (2396-43-2)

Guidance literature:

With [P(2-pyridyl)3W(CO)(NO)2]⁽²⁺⁾(BF₄^(1-))2; at 20 ℃; for 24h;

DOI:10.1016/S0040-4039(01)02323-1

Reference yield: 80.0%

1-(Trimethylsilyloxy)cyclohexene (6651-36-1) + butyraldehyde (123-72-8) → 2,4,6-tris(n-propyl)-1,3,5-trioxane (2396-43-2) + 2-(1-trimethylsiloxybutyl)-cyclohexanone (146860-49-3)

Guidance literature:

bismuth(III) chloride; sodium iodide; In dichloromethane; for 5h; Yields of byproduct given; Ambient temperature;

DOI:10.1016/0022-328X(96)06229-8

Reference yield:

butyraldehyde (123-72-8) → 2,4,6-tris(n-propyl)-1,3,5-trioxane (2396-43-2) + (Z)-2-ethylhex-2-enal (88288-45-3)

Guidance literature:

With tantalum pentachloride; In diethyl ether; for 4h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4020(97)01051-X

upstream raw materials:

butyraldehyde

1-(Trimethylsilyloxy)cyclohexene

Downstream raw materials:

2-ethylhexenal

2-ethylhexane-1,3-diol monobutyrate

butyraldehyde

Refernces

• 1、 Song, Heyuan,Chen, Jing,Xia, Chungu,Li, Zhen. "Novel acidic ionic liquids as efficient and recyclable catalysts for the cyclotrimerization of aldehydes". . p. 266 - 273. Retrieved 2012.
• 2、 Li, Xinzhong,Lin, Qi,Cao, Rong. "A convenient approach for the synthesis of 1,3,5-trioxanes under solvent-free conditions at room temperature". . p. 1017 - 1022. Retrieved 2014.