Triethyl nitrilotricarboxylate

Base Information

• Chemical Name: Triethyl nitrilotricarboxylate
• CAS No.: 3206-31-3
• Molecular Formula: C9H15 N O6
• Molecular Weight: 233.221
• European Community (EC) Number: 221-709-3
• NSC Number: 65656
• UNII: N2E3I3E7NZ
• DSSTox Substance ID: DTXSID2022206
• Nikkaji Number: J262.311K
• Wikidata: Q27284421
• Mol file: 3206-31-3.mol

Synonyms:Triethyl nitrilotricarboxylate;3206-31-3;ethyl N,N-bis(ethoxycarbonyl)carbamate;EINECS 221-709-3;UNII-N2E3I3E7NZ;N2E3I3E7NZ;AI3-06207;Triethyl nitrilotricarboxylic acid;Nitrilotriformic acid triethyl ester;NSC-65656;Nitridotricarboxylic acid, triethyl ester;diethyl [(ethyloxy)carbonyl]imidodicarbonate;N,N-dicarbethoxycarbamic acid ethyl ester;NCIOpen2_002983;DTXSID2022206;SCHEMBL11648463;TRIETHYL NITRILOTRIFORMATE;NSC65656;diethyl ethoxycarbonyliminodicarbonate;NSC 65656;AKOS024341679;diethyl (ethoxycarbonyl)imidodicarbonate;LS-184934;FT-0658473;NITRIDOTRICARBONIC ACID, TRIETHYL ESTER;({[bis(ethoxycarbonyl)amino]carbonyl}oxy)ethane;NITRILOTRICARBOXYLIC ACID, TRIETHYL ESTER;N,N-bis(ethoxycarbonyl)-carbamic acid ethyl ester;Carbamic acid, N,N-bis(ethoxycarbonyl)-, ethyl ester;Q27284421;NITRIDOTRICARBONIC ACID, C,C',C''-TRIETHYL ESTER

Chemical Property of Triethyl nitrilotricarboxylate

Chemical Property:

• Vapor Pressure: 0.00406mmHg at 25°C
• Boiling Point: 279.3°C at 760 mmHg
• PKA: -3.14±0.70(Predicted)
• Flash Point: 122.7°C
• PSA: 82.14000
• Density: 1.197g/cm³
• LogP: 1.75790
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 233.08993720
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

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

TRIETHYL NITRILOTRICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N(C(=O)OCC)C(=O)OCC

Technology Process of Triethyl nitrilotricarboxylate

There total 9 articles about Triethyl nitrilotricarboxylate 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: 57.0%

Hexafluorobenzene (392-56-3) + ethyl azidocarbonate (817-87-8) → tris(ethoxycarbonyl)amine (3206-31-3) + ethyl hexafluoro-1H-azepine-1-carboxylate (83925-91-1)

Guidance literature:

for 66h; Irradiation;

Reference yield: 21.0%

ethyl azidocarbonate (817-87-8) → tris(ethoxycarbonyl)amine (3206-31-3) + ethyl hexafluoro-1H-azepine-1-carboxylate (83925-91-1)

Guidance literature:

With Hexafluorobenzene; for 66h; Irradiation;

Reference yield: 18.0%

ethyl azidocarbonate (817-87-8) + 1,2,3,4-tetrafluoronaphthalene (711-55-7) → tris(ethoxycarbonyl)amine (3206-31-3) + ethyl 5,6,7,8-tetrafluoro-1naphthylcarbamate + 1,2-(ethoxycarbonylimino)-1,2,3,4-tetrafluoro-1,2-dihydronaphthalene

Guidance literature:

In dichloromethane; at 90 ℃; for 24h;

upstream raw materials:

chloroformic acid ethyl ester

urethane

ethyl azidocarbonate

Hexafluorobenzene

Downstream raw materials:

ethoxycarbonylisocyanate

ethyl allophanate

ethylhydrazine carboxylate

dihydrazinocarbonylamine

Refernces