1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-

Base Information

• Chemical Name: 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-
• CAS No.: 2904-41-8
• Molecular Formula: C12H15N3O9
• Molecular Weight: 345.266
• Hs Code.: 2933699090
• European Community (EC) Number: 220-803-1
• NSC Number: 11694
• UNII: VLM4PJX92M
• DSSTox Substance ID: DTXSID5074343
• Nikkaji Number: J40.132C
• Wikidata: Q82002714
• ChEMBL ID: CHEMBL1345680
• Mol file: 2904-41-8.mol

Synonyms:2904-41-8;Tris(2-carboxyethyl) Isocyanurate;1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-;tris(2-carboxyethyl)isocyanurate;VLM4PJX92M;3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid;EINECS 220-803-1;NSC 11694;NSC-11694;3,3',3''-(Trioxo-1,3,5-triazinetriyl)tri(propionic acid);3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoic acid;NSC11694;Isocyanuric Acid Tris(2-carboxyethyl) Ester;UNII-VLM4PJX92M;Oprea1_160115;Oprea1_280444;MLS000713969;SCHEMBL113643;CHEMBL1345680;DTXSID5074343;C12H15N3O9;HMS2640F22;CAA90441;MFCD00059790;AKOS000636899;SB73224;NCGC00244981-01;AS-48223;SMR000273450;FT-0709489;T0675;F19825;SR-01000320929;SR-01000320929-1;1,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-;2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropanoic acid;3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tripropionic acid

Chemical Property of 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-

Chemical Property:

• Melting Point: 222 °C
• Boiling Point: 694.083 °C at 760 mmHg
• PKA: 3.89±0.10(Predicted)
• Flash Point: 373.568 °C
• PSA: 177.90000
• Density: 1.604 g/cm³
• LogP: -2.40420
• Water Solubility.: almost transparency in hot Water
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 345.08082906
• Heavy Atom Count: 24
• Complexity: 484

Purity/Quality:

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

Tris(2-carboxyethyl) Isocyanurate >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN1C(=O)N(C(=O)N(C1=O)CCC(=O)O)CCC(=O)O)C(=O)O

Technology Process of 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-

There total 1 articles about 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo- 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:

→ 3,3',3''-(2,4,6-trioxo-[1,3,5]triazinane-1,3,5-triyl)-tris-propionic acid (2904-41-8)

Guidance literature:

Trinitril II, HCl, H2O;

Reference yield: 82.0%

zinc(II) nitrate hexahydrate + 1,5-bis(2-methylbenzimidazol-1-yl)pentane (1402439-25-1) + water (7732-18-5) + 3,3',3''-(2,4,6-trioxo-[1,3,5]triazinane-1,3,5-triyl)-tris-propionic acid (2904-41-8) → {[Zn3(BMP)(TCI)2(H2O)]·H2O}n

Guidance literature:

In ethanol; at 130 ℃; for 96h; Autoclave;

DOI:10.1016/j.poly.2014.01.007

Reference yield: 57.0%

water (7732-18-5) + zinc(II) acetate dihydrate (5970-45-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3,3',3''-(2,4,6-trioxo-[1,3,5]triazinane-1,3,5-triyl)-tris-propionic acid (2904-41-8) → [Me2NH2][Zn(tris(2-carboxyethyl)isocyanurate)]*2.5H2O

Guidance literature:

In ethanol; water; High Pressure; Zn(OAc)2 and H3Tci (2:1 molar ratio) in DMF/EtOH/H2O (5/3/1=v/v/v), heated at 100°C for 2 d; cooled to room temp. (0.5°C/h), septd., elem. anal.;

DOI:10.1134/S1070328412050090