Phosphoric acid, dibutyl p-nitrophenyl ester

Base Information

• Chemical Name: Phosphoric acid, dibutyl p-nitrophenyl ester
• CAS No.: 2255-19-8
• Molecular Formula: C14H22NO6P
• Molecular Weight: 331.306
• DSSTox Substance ID: DTXSID60177085
• Nikkaji Number: J50.377K
• Wikidata: Q83047398
• Mol file: 2255-19-8.mol

Synonyms:Dibutyl paraoxon;Paraoxon, dibutyl;Phosphoric acid, dibutyl p-nitrophenyl ester;2255-19-8;BRN 2544437;Dibutyl 4-nitro-phenyl phosphate;4-06-00-01329 (Beilstein Handbook Reference);Paraoxon butyl;dibutyl p-nitrophenyl phosphate;C14H22NO6P;SCHEMBL3233444;DTXSID60177085;C14-H22-N-O6-P;LS-107623;Phosphoric acid, dibutyl 4-nitrophenyl ester

Chemical Property of Phosphoric acid, dibutyl p-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 2.64E-06mmHg at 25°C
• Boiling Point: 401.9°Cat760mmHg
• Flash Point: 196.9°C
• Density: 1.193g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 331.11847442
• Heavy Atom Count: 22
• Complexity: 351

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Phosphoric acid, dibutyl p-nitrophenyl ester

There total 5 articles about Phosphoric acid, dibutyl p-nitrophenyl 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: 78.0%

dibutyl hydrogen phosphite (1809-19-4) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → di-n-butyl 4-nitrophenyl phosphate (2255-19-8)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In tetrachloromethane; water; at 25 - 30 ℃; for 1h;

Reference yield: 65.0%

1-dichlorophosphoryloxy-4-nitro-benzene (777-52-6) + butan-1-ol (71-36-3) → di-n-butyl 4-nitrophenyl phosphate (2255-19-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 23h;

DOI:10.1016/S0968-0896(99)00026-7

Reference yield: 41.0%

→ di-n-butyl 4-nitrophenyl phosphate (2255-19-8)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In tetrachloromethane; water; at 20 ℃; for 2h;

upstream raw materials:

4-(4-nitrophenoxy)butanoic acid

dibutyl chlorophosphate

dibutyl hydrogen phosphite

4-nitro-phenol

Downstream raw materials:

4-nitro-phenol

Refernces

• 1、 Spivak, David A.,Hoffman, Timothy Z.,Moore, Alisa H.,Taylor, Matthew J.,Janda, Kim D.. "A comparison of flexible and constrained haptens in eliciting antibody catalysts for paraoxon hydrolysis". . p. 1145 - 1150. Retrieved 2007/10/03.