1-tert-Butyl-3-ethylcarbodiimide

Base Information

• Chemical Name: 1-tert-Butyl-3-ethylcarbodiimide
• CAS No.: 1433-27-8
• Molecular Formula: C7H14N2
• Molecular Weight: 126.202
• European Community (EC) Number: 626-088-6
• DSSTox Substance ID: DTXSID50404675
• Nikkaji Number: J328.982F
• Mol file: 1433-27-8.mol

Synonyms:1-tert-Butyl-3-ethylcarbodiimide;1433-27-8;N-(Ethylcarbonimidoyl)-2-methyl-2-propanamine;MFCD00209556;N/'-tert-butyl-N-ethylmethanediimine;1-Tert-Butyl-3 ethylcarbodimide;TBEC;[(tert-butylimino)methylidene](ethyl)amine;N-((ethylimino)methylene)-2-methylpropan-2-amine;ethyl dimethylethylcarbodiimide;SCHEMBL531924;DTXSID50404675;AXTNYCDVWRSOCU-UHFFFAOYSA-N;AKOS015909616;1-tert-Butyl-3-ethylcarbodiimide, 99%;J-650109;J-670015;J-801014

Chemical Property of 1-tert-Butyl-3-ethylcarbodiimide

Chemical Property:

• Vapor Pressure: 5.84mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 146.5 °C at 760 mmHg
• Flash Point: 33.5 °C
• PSA: 24.72000
• Density: 0.8 g/cm³
• LogP: 1.97870
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 124

Purity/Quality:

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

1-tert-Butyl-3-ethylcarbodiimide 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN=C=NC(C)(C)C
• Uses: Reactant for: Guanylation of aminesSynthesis of tantalum dimethylamido diamidato and guanidinato complexes for CVD of nitride thin filmsPreparation of titanium amidinate guanidinate alkylamide complex precursors for HfO2 filmsKetene cycloadditionsHydroamination of carbodiimides using group-2-element amides as precatalystsSynthesis of cobalt amidinato derivative complexes for studies involving thermal stability, vapro pressure, vaporization rate and thermal decomposition properties

Technology Process of 1-tert-Butyl-3-ethylcarbodiimide

There total 4 articles about 1-tert-Butyl-3-ethylcarbodiimide 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: 54.0%

N-tert-butyl-N'-ethylthiourea (14326-97-7) → N-tert-butyl-N'-ethylcarbodiimide (1433-27-8)

Guidance literature:

With dicyclohexyl-carbodiimide; Heating;

Reference yield:

N-Ethyl-N'-tert.-butyl-isothioharnstoff-S-methylaether (90203-60-4) → N-tert-butyl-N'-ethylcarbodiimide (1433-27-8)

Guidance literature:

at 150 ℃;

Reference yield:

methyl magnesium iodide (917-64-6) + 1-<<(Triphenylphosphoranylidene)amino>methyl>benzotriazole (124316-00-3) + Tert-butyl isocyanate (1609-86-5) → N-tert-butyl-N'-ethylcarbodiimide (1433-27-8)

Guidance literature:

Yield given. Multistep reaction; 1) THF, RT, 5h, 2) THF, RT, 12h;

DOI:10.1055/s-1990-26940

upstream raw materials:

N-Ethyl-N'-tert.-butyl-isothioharnstoff-S-methylaether

methyl magnesium iodide

1-<<(Triphenylphosphoranylidene)amino>methyl>benzotriazole

Tert-butyl isocyanate

Downstream raw materials:

ethyl N-(benzyloxycarbonyl)-L-valylglycinate

N-α-(benzyloxycarbonyl)-L-valyl>-N'-(tert-butyl)-N-ethylurea

N-α-(benzyloxycarbonyl)-L-valyl>-N-tert-butyl-N'-ethylurea

(η5-C5Me5)ZrCl2[N(t-Bu)C(Ph)N(Et)]

Refernces

• 1、 Katritzky, Alan R.,Jiang, Jinglong,Urogdi, Laszlo. "1-(Triphenylphosphorylideneaminomethyl)benzotriazole (BETMIP) a Novel +CH2N= Synthetic Equivalent: Its Application to the Synthesis of Carbodiimides, Imines, Isothiocyanates, Aziridines, and Secondary Amines". . p. 565 - 567. Retrieved 2007/10/02.