Phosphonic acid, monobutyl ester

Base Information

• Chemical Name: Phosphonic acid, monobutyl ester
• CAS No.: 16456-56-7
• Molecular Formula: C4H11 O3 P
• Molecular Weight: 138.103
• Hs Code.: 2919900090
• European Community (EC) Number: 240-508-1
• DSSTox Substance ID: DTXSID60884909
• Nikkaji Number: J35.434A
• Wikidata: Q82863559
• Mol file: 16456-56-7.mol

Synonyms:Monobutyl phosphite;Phosphonic acid, monobutyl ester;butoxy-hydroxy-oxophosphanium;Butylfosfit;Butyl phosphite;16456-56-7;Butyl hydrogen phosphonate;Butylfosfit [Czech];Phosphorous acid, butyl ester;EINECS 240-508-1;BRN 0969857;Butyl phosphonate ((Bu-O)-(O-H)-(H-P-O));3-01-00-01509 (Beilstein Handbook Reference);Monobutyl phosphite;phosphonic acid butyl ester;SCHEMBL829195;DTXSID60884909;LS-108999

Chemical Property of Phosphonic acid, monobutyl ester

Chemical Property:

• Vapor Pressure: 0.073mmHg at 25°C
• Boiling Point: °Cat760mmHg
• PKA: 2.24±0.10(Predicted)
• Flash Point: °C
• PSA: 80.67000
• Density: g/cm³
• LogP: 1.83300
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 137.03675617
• Heavy Atom Count: 8
• Complexity: 73.7

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCO[P+](=O)O

Technology Process of Phosphonic acid, monobutyl ester

There total 8 articles about Phosphonic acid, monobutyl 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: 56.0%

dibutyl ether (142-96-1) → 1-bromo-butane (109-65-9) + Phosphoric acid mono-n-butylester (16456-56-7)

Guidance literature:

With hydrogen bromide; phosphorus tribromide; at 80 ℃; for 0.666667h;

DOI:10.1007/BF00954229

Reference yield: 48.0%

butan-1-ol (71-36-3) → dibutyl phosphate (107-66-4) + Phosphoric acid mono-n-butylester (16456-56-7)

Guidance literature:

With oxygen; hypophosphorous acid; copper dichloride; at 50 ℃; for 6h;

Reference yield:

phosphonic Acid (13598-36-2) + butan-1-ol (71-36-3) → dibutyl hydrogen phosphite (1809-19-4) + Phosphoric acid mono-n-butylester (16456-56-7)

Guidance literature:

at 121 - 128 ℃; for 9.5h; Product distribution / selectivity; Heating / reflux;

upstream raw materials:

dibutyl hydrogen phosphite

dibutyl ether

1-N-(butylamino)-cyclohexyl phosphonic acid dibutyl ester

butan-1-ol

Downstream raw materials:

2-chloroethylphosphonic acid

dibutyl 2-chloroethylphosphonate

2-chloroethylphosphonic acid monobutyl ether

Refernces

• 1、 Schneider, B.,Porzel, A.,Weidhase, R.,Schuette, H. R.. "Degradation of n-Butylaminocyclohexyl phosphonic Acid di-n-Butylester (Buminafos) in Aqueous Medium". . p. 85 - 90. Retrieved 2007/10/02.
• 2、 Volynskii, N. P.,Perepelitchenko, L. I.. "CLEAVAGE OF ETHERS AND ESTERS BY PHOSPHORUS HALIDES". . p. 779 - 784. Retrieved 2007/10/02.