1,3,5-Triacetylhexahydro-1,3,5-triazine

Base Information

Chemical Name:1,3,5-Triacetylhexahydro-1,3,5-triazine
CAS No.:26028-46-6
Molecular Formula:C9H15 N3 O3
Molecular Weight:213.236
Hs Code.:2933699090
European Community (EC) Number:247-418-1
NSC Number:194838
UNII:ZQ9WLC2XZP
DSSTox Substance ID:DTXSID80180672
Nikkaji Number:J308.376D
Wikidata:Q83051262
ChEMBL ID:CHEMBL1704464
Mol file:26028-46-6.mol

Synonyms:26028-46-6;1,3,5-Triacetylhexahydro-1,3,5-triazine;ZQ9WLC2XZP;1,1',1''-(1,3,5-triazinane-1,3,5-triyl)triethanone;EINECS 247-418-1;NSC-194838;s-Triazine, 1,3,5-triacetylhexahydro-;1,3,5-Triazine, 1,3,5-triacetylhexahydro-;1-(3,5-Diacetyl-[1,3,5]triazinan-1-yl)-ethanone;1-(3,5-DIACETYL-(1,3,5)TRIAZINAN-1-YL)-ETHANONE;NSC194838;UNII-ZQ9WLC2XZP;MLS000682830;SCHEMBL8594496;CHEMBL1704464;DTXSID80180672;1,5-Triacetylhexahydro-s-triazine;HMS1579B21;HMS2592D17;s-Triazine,3,5-triacetylhexahydro-;STK287586;1,3,5-triacetyl-1,3,5-triazinane;AKOS000594921;NSC 194838;SDCCGMLS-0064516.P001;NCGC00245890-01;SMR000312187;1,3,5-Triacetyl-1,3,5-triazacyclohexane;1,5-Triazine, 1,3,5-triacetylhexahydro-;1,3,5-TRIACETYLHEXAHYDRO-S-TRIAZINE;FT-0697024;1,3,5-triacetyl-2,4,6-hexahydro-s-triazine;SR-01000510235;SR-01000510235-1;1-(3,5-DIACETYL-1,3,5-TRIAZINAN-1-YL)ETHAN-1-ONE;ETHANONE, 1,1',1''-(1,3,5-TRIAZINE-1,3,5(2H,4H,6H)-TRIYL)TRIS-

Suppliers and Price of 1,3,5-Triacetylhexahydro-1,3,5-triazine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 9 raw suppliers

Chemical Property of 1,3,5-Triacetylhexahydro-1,3,5-triazine

Chemical Property:

Vapor Pressure:1.08E-09mmHg at 25°C
Melting Point:96-98 °C
Boiling Point:488.6°C at 760 mmHg
PKA:-0.82±0.20(Predicted)
Flash Point:251.1°C
PSA：60.93000
Density:1.229g/cm³
LogP:-0.76830
XLogP3:-1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:213.11134135
Heavy Atom Count:15
Complexity:243

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C
General Description 1,3,5-Triacetylhexahydro-1,3,5-triazine (TRAT) is a byproduct formed during the synthesis of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (TAT) and exhibits higher solubility in ethyl acetate compared to TAT, making it separable via recrystallization and precipitation methods. It can also be synthesized efficiently through the reaction of nitriles with trioxane under acidic conditions, such as using phenylsulfonic acid-functionalized mesoporous silica or ion-exchange resins, yielding high-purity products characterized by spectroscopic methods. TRAT serves as a key intermediate or byproduct in organic and energetic material synthesis.

Technology Process of 1,3,5-Triacetylhexahydro-1,3,5-triazine

There total 7 articles about 1,3,5-Triacetylhexahydro-1,3,5-triazine 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: 88.0%

: 110-88-3
1,3,5-Trioxan

: 75-05-8,26809-02-9
acetonitrile

: 26028-46-6
1,3,5-tri-acetyl-1,3,5-triaza cyclohexane

Guidance literature:: With phenylsulfonic acid functionalized mesoporous silica; In 1,2-dichloro-ethane; Reflux;
DOI:10.1080/00397911.2010.517887

Reference yield: 80.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 75-05-8,26809-02-9
acetonitrile

: 26028-46-6
1,3,5-tri-acetyl-1,3,5-triaza cyclohexane

Guidance literature:: Amberlyst 15 resin; In chlorobenzene; at 80 ℃; for 20h;
DOI:10.1055/s-1986-31730

Reference yield: 16.0%

: 108-24-7
acetic anhydride

: diammonium 1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-disulfonate sulfate

: 41378-98-7
1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine

: 32516-05-5
3,7-diacetyl-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane

: 26028-46-6
1,3,5-tri-acetyl-1,3,5-triaza cyclohexane

Guidance literature:: diammonium 1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-disulfonate sulfate; With ammonium acetate; In acetic acid; for 0.5h;

acetic anhydride; In acetic acid; at 10 ℃;
DOI:10.1023/A:1012443003868