Ethyl allophanate

Base Information

• Chemical Name: Ethyl allophanate
• CAS No.: 626-36-8
• Molecular Formula: C4H8N2O3
• Molecular Weight: 132.119
• European Community (EC) Number: 210-945-2
• NSC Number: 119864,272
• UNII: 7B4EN328CC
• DSSTox Substance ID: DTXSID4060818
• Nikkaji Number: J27.048B
• Wikidata: Q81989199
• Mol file: 626-36-8.mol

Synonyms:ethyl allophanate

Chemical Property of Ethyl allophanate

Chemical Property:

• Appearance/Colour: white to slightly yellow cryst. powder or needles
• Melting Point: 184-189 °C
• Refractive Index: 1.46
• Boiling Point: 190-191℃
• PKA: 9.89±0.46(Predicted)
• PSA: 81.42000
• Density: 1.227 g/cm³
• LogP: 0.90240
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.05349212
• Heavy Atom Count: 9
• Complexity: 123

Purity/Quality:

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

Ethyl Allophanate >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(=O)N

Technology Process of Ethyl allophanate

There total 119 articles about Ethyl allophanate 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: 85.0%

urethane (51-79-6) → ethyl allophanate (626-36-8) + sulfinylcarbamic acid ethyl ester (5659-92-7)

Guidance literature:

With pyridine; thionyl chloride; In diethyl ether; for 5h;

Reference yield: 57.0%

ethanol (64-17-5) + trimethylsilyl isocyanate (1118-02-1) → ethyl allophanate (626-36-8)

Guidance literature:

at 100 ℃; for 2h;

Reference yield: 44.0%

ethanol (64-17-5) + trimethylsilyl isocyanate (1118-02-1) → ethyl allophanate (626-36-8) + urethane (51-79-6)

Guidance literature:

at 100 ℃; for 5h;

DOI:10.1023/A:1012388413957

upstream raw materials:

ethoxycarbonylisocyanate

BIURET

ethanol

N'-carbonyl-N,N-dichloro-urea

Downstream raw materials:

urethane

cyanuric acid

carbon oxide sulfide

BIURET

Refernces

• 1、 Loginova et al.. "". . . Retrieved 1979.
• 2、 Langlet, Abraham,Latypov, Nikolaj V.,Wellmar, Ulf,Bemm, Ulf,Goede, Patrick,Bergman, Jan,Romero, Ivan. "Nitration of 2-substituted pyrimidine-4,6-diones, structure and reactivity of 5,5-gem-dinitropyrimidine-4,6-diones". . p. 7833 - 7838. Retrieved 2007/10/03.
• 3、 Pudovik,Krepysheva,Pudovik. "Organosilicon synthesis of alkyl allophanates". . p. 330 - 330. Retrieved 2007/10/03.