Ethyl methyl p-nitrophenyl phosphate

Base Information

• Chemical Name: Ethyl methyl p-nitrophenyl phosphate
• CAS No.: 1021-47-2
• Molecular Formula: C9H12 N O6 P
• Molecular Weight: 261.171
• DSSTox Substance ID: DTXSID20907087
• Nikkaji Number: J1.068.682B
• Mol file: 1021-47-2.mol

Synonyms:1021-47-2;Ethyl methyl p-nitrophenyl phosphate;ethyl methyl 4-nitrophenyl phosphate;ethyl methyl (4-nitrophenyl) phosphate;BRN 2145354;H.C. 2071;Phosphoric acid, ethyl methyl p-nitrophenyl ester;DTXSID20907087

Chemical Property of Ethyl methyl p-nitrophenyl phosphate

Chemical Property:

• Vapor Pressure: 0.000329mmHg at 25°C
• Boiling Point: 330°C at 760 mmHg
• Flash Point: 153.3°C
• Density: 1.338g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 261.04022410
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Ethyl methyl p-nitrophenyl phosphate

There total 2 articles about Ethyl methyl p-nitrophenyl phosphate 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:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → ethyl methyl p-nitrophenyl phosphate (1021-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 20 °C

2: triethylamine / tetrahydrofuran

With triethylamine; In tetrahydrofuran;

DOI:10.1021/ja035625m

Reference yield:

methanol (67-56-1) + Phosphorochloridic acid ethyl ester 4-nitro-phenyl ester (73254-16-7) → ethyl methyl p-nitrophenyl phosphate (1021-47-2)

Guidance literature:

With triethylamine; In tetrahydrofuran;

DOI:10.1021/ja035625m

Reference yield: 71.0%

ethyl methyl p-nitrophenyl phosphate (1021-47-2) → (R)-Phosphoric acid ethyl ester methyl ester 4-nitro-phenyl ester

Guidance literature:

With CHES buffer; Pseudomonas diminuta phosphotriesterase G₆₀A mutant; cobalt(II); In acetonitrile; at 20 ℃; for 0.25h; pH=9.0;

DOI:10.1021/ja002546r

upstream raw materials:

methanol

Phosphorochloridic acid ethyl ester 4-nitro-phenyl ester

4-nitro-phenol

Downstream raw materials:

O-ethyl,O-methyl-O-phenyl phosphate

(+)-(R)-Ethylmethylphenylphosphat

4-nitro-phenol

phosphoric acid ethyl methyl ester