Methyl-phosphonic acid n-butyl ester

Base Information

• Chemical Name: Methyl-phosphonic acid n-butyl ester
• CAS No.: 1832-55-9
• Molecular Formula: C5H13O3P
• Molecular Weight: 152.12900
• DSSTox Substance ID: DTXSID501313611
• Nikkaji Number: J1.034.984B
• Wikidata: Q27458980
• Mol file: 1832-55-9.mol

Synonyms:O-Butlylmethylphosphonic Acid Ester Group;1832-55-9;Methyl-phosphonic acid n-butyl ester;butyl methylphosphonate;butyl methylphosphonic acid;butoxy(methyl)phosphinic acid;SCHEMBL5407462;GZUFHXSFPZCNJA-UHFFFAOYSA-N;DTXSID501313611;butyl hydrogen (R)-methylphosphonate;EN300-7455975;Q27458980;CVX

Chemical Property of Methyl-phosphonic acid n-butyl ester

Chemical Property:

• PSA: 56.34000
• LogP: 1.61830
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 152.06023127
• Heavy Atom Count: 9
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOP(=O)(C)O

Technology Process of Methyl-phosphonic acid n-butyl ester

There total 1 articles about Methyl-phosphonic acid n-butyl 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:

methylphosphonic acid (993-13-5) + butan-1-ol (71-36-3) → methyl-phosphonic acid n-butyl ester (1832-55-9) + dibutyl methylphosphonate (2404-73-1)

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; at 200 ℃; for 2h; Microwave irradiation; Green chemistry;

DOI:10.3390/molecules26175303

Reference yield: 92.0%

methyl-phosphonic acid n-butyl ester (1832-55-9) + butan-1-ol (71-36-3) → dibutyl methylphosphonate (2404-73-1)

Guidance literature:

With polymer supported sulfonated magnetic resin; In toluene; at 20 - 70 ℃; for 0.75h; Solvent; Temperature;

DOI:10.1016/j.tetlet.2014.10.086

Reference yield:

2-acetoxy-3-butenenitrile (15667-63-7) + methyl-phosphonic acid n-butyl ester (1832-55-9) → 3-[n-butoxy(methyl)phosphoryl]-1-cyanopropyl acetate (172529-93-0,167004-78-6)

Guidance literature:

With tert-butylperoxy neodecanoate; at 85 ℃; for 4h;

upstream raw materials:

methylphosphonic acid

butan-1-ol

Downstream raw materials:

dibutyl methylphosphonate

3-[n-butoxy(methyl)phosphoryl]-1-cyanopropyl acetate

Refernces