Diethoxyphosphoryl isocyanate

Base Information

• Chemical Name: Diethoxyphosphoryl isocyanate
• CAS No.: 20039-33-2
• Molecular Formula: C5H10 N O4 P
• Molecular Weight: 179.112
• Hs Code.: 2931900090
• European Community (EC) Number: 626-051-4
• DSSTox Substance ID: DTXSID20942039
• Nikkaji Number: J526.409J
• Mol file: 20039-33-2.mol

Synonyms:DEPIC;diethoxyphosphoryl isocyanate

Chemical Property of Diethoxyphosphoryl isocyanate

Chemical Property:

• Vapor Pressure: 0.248mmHg at 25°C
• Refractive Index: n20/D 1.416(lit.)
• Boiling Point: 212.7°Cat760mmHg
• Flash Point: 48.3°C
• PSA: 74.77000
• Density: 1.24g/cm³
• LogP: 1.50330
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 179.03474480
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

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

Diethyl isocyanatidophosphate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-23-26-28-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(N=C=O)OCC
• Uses: Diethoxyphosphinyl Isocyanate is an intermediate for organic synthesis. Diethoxyphosphinyl Isocyanate is toxic, cytogenetic and embryotoxic to different mice strains.

Technology Process of Diethoxyphosphoryl isocyanate

There total 11 articles about Diethoxyphosphoryl isocyanate 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: 83.0%

C9H20NO8PS (287411-39-6) → diethoxyphosphoryl isocyanate (20039-33-2)

Guidance literature:

Reference yield: 70.0%

Ureidophosphorsaeurediethylester (3135-78-2) → diethoxyphosphoryl isocyanate (20039-33-2)

Guidance literature:

With hydrogenchloride; In toluene; for 1h; Heating;

Reference yield: 64.0%

oxalyl dichloride (79-37-8) + Diethyl phosphoramidate (1068-21-9) → diethoxyphosphoryl isocyanate (20039-33-2)

Guidance literature:

In tetrachloromethane; at 50 ℃; for 1h;

DOI:10.1055/s-1982-29997

upstream raw materials:

phosgene

Diethyl phosphoramidate

oxalyl dichloride

dichloromethylene-phosphoramidic acid diethyl ester

Downstream raw materials:

C₁₃H₂₁N₄O₅P

C₁₆H₂₇N₄O₅P

N,N'-Bis-(N-diethoxyphosphoryl-carbamoyl)-o-phenylendiamin

C₁₆H₂₈N₄O₇P₂S

Refernces

• 1、 Ariga, Elaine Miho,Carita Correra, Thiago,Matsushima, Jullyane Emi,McIndoe, J. Scott,Moreira Ribeiro, Francisco Wanderson,Omari, Isaac,Papa Spadafora, Bruna,Rodrigues, Alessandro,Soares, Priscila Machado Arruda,Vinhato, Elisangela,de Oliveira-Silva, Diogo. "Regio- And diastereoselective Pd-catalyzed aminochlorocyclization of allylic carbamates: scope, derivatization, and mechanism". supporting information. p. 5595 - 5606. Retrieved 2021/07/02.
• 2、 Mielniczak, G.,Lopusiriski, A.. "Synthesis of N,N'-Bis(diethylphosphoryl) Sulfamide". . p. 1946 - 1954. Retrieved 2007/10/03.