Phosphoramidic acid, phenyl-, diethyl ester

Base Information

• Chemical Name: Phosphoramidic acid, phenyl-, diethyl ester
• CAS No.: 1445-38-1
• Molecular Formula: C10H16NO3
• Molecular Weight: 229.216
• Hs Code.: 2931900090
• European Community (EC) Number: 635-703-7
• NSC Number: 16105
• DSSTox Substance ID: DTXSID60162734
• Nikkaji Number: J104.760D
• Wikidata: Q83031484
• ChEMBL ID: CHEMBL1442834
• Mol file: 1445-38-1.mol

Synonyms:1445-38-1;N-diethoxyphosphorylaniline;PHOSPHORAMIDIC ACID, PHENYL-, DIETHYL ESTER;Diethyl anilidophosphate;Phenylphosphoramidic acid diethyl ester;Diethyl anilinophosphonate;Diethyl phosphoroanilidate;Diethyl phenylamidophosphate;diethyl phenylphosphoramidate;Phosphoramidic acid, N-phenyl-, diethyl ester;anilinodiethylphosphonate;BRN 2214364;AI3-51248;Diethyl N-phenylphosphoramidate;DIETHYLANILINOPHOSPHONATE;MLS000737795;Anilinophosphonic acid diethyl ester;anilino-phosphonic acid diethyl ester;C10H16NO3P;N-(diethoxyphosphoryl)aniline;SMR000137545;anilino-diethylphosphonate;diethyl-anilinophosphonate;CBDivE_014212;MLS000532606;Diethyl phenylamidophosphate #;SCHEMBL1893010;CHEMBL1442834;3,4,5-Trichlorophenylboronicacid;DTXSID60162734;HMS2182P13;NSC16105;MFCD00026758;NSC 16105;NSC-16105;AKOS024319125;NCGC00245540-01;NCGC00245540-02;LS-107353;Phosphoramidic acid,N-phenyl-,diethyl ester;CS-0328712;FT-0633545;A808228

Chemical Property of Phosphoramidic acid, phenyl-, diethyl ester

Chemical Property:

• Vapor Pressure: 0.00205mmHg at 25°C
• Melting Point: 91-94°C
• Refractive Index: 1.527
• Boiling Point: 290.6°C at 760 mmHg
• PKA: 0.25±0.38(Predicted)
• Flash Point: 129.5°C
• PSA: 57.37000
• Density: 1.173 g/cm³
• LogP: 3.35260
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 229.08678037
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

N-(Diethoxyphosphoryl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOP(=O)(NC1=CC=CC=C1)OCC

Technology Process of Phosphoramidic acid, phenyl-, diethyl ester

There total 38 articles about Phosphoramidic acid, phenyl-, diethyl ester 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: 100.0%

aniline (62-53-3) + phosphonic acid diethyl ester (762-04-9) → diethyl phenylphosphoramidate (1445-38-1)

Guidance literature:

With potassium carbonate; potassium hydrogencarbonate; tetrabutylammomium bromide; In tetrachloromethane; at 15 - 20 ℃; for 4h;

DOI:10.1055/s-1984-30778

Reference yield: 92.0%

diethyl chlorophosphate (814-49-3) + aniline (62-53-3) → diethyl phenylphosphoramidate (1445-38-1)

Guidance literature:

With triethylamine; In benzene; for 96h; Ambient temperature;

DOI:10.1016/S0040-4020(01)88497-0

Reference yield: 91.0%

methanesulfonic phosphoric anhydride, diethyl ester (4972-37-6) + aniline (62-53-3) → diethyl phenylphosphoramidate (1445-38-1) + anilinium methanesulfonate (82220-46-0)

Guidance literature:

In benzene; for 1h; Ambient temperature;

upstream raw materials:

ethanol

phenylamidophosphoric dichloride

triethyl N-phenylphosphorimidate

diethyl chlorophosphate

Downstream raw materials:

N-(tert-butoxycarbonyl)-2-aminophenylphosphonic acid diethyl ester

aniline

C₂₁H₁₉N

C₁₁H₁₅N

Refernces

• 1、 McCombie,Saunders,Stacey. "-". . p. 921. Retrieved 1945.
• 2、 Hinman,Abdur-Rashid,Lough,Morris. "[{ReH2(PMePH2)2}2(μ-H) 3]-: The first member of a new class of anionic polyhydride dimers [Re2H7L4]-". . p. 2480 - 2481. Retrieved 2001.
• 3、 Data, Shailja,Leung Wai, Jeffery,Kumar, Saawan,Cameron, Alan J.,Trehet, Manon,Itumoh, Emeka J.,Feld, Joey,S?hnel, Tilo,Leitao, Erin M.. "The Step-Wise Synthesis of Oligomeric Phosphoramidates". supporting information. p. 5468 - 5477. Retrieved 2021/09/30.
• 4、 Winters, Karen R.,Montchamp, Jean-Luc. "Evaluation and development of methodologies for the synthesis of thiophosphinic acids". . p. 14545 - 14558. Retrieved 2020/12/29.