Dodecylphosphonic acid

Base Information

• Chemical Name: Dodecylphosphonic acid
• CAS No.: 5137-70-2
• Molecular Formula: C12H27 O3 P
• Molecular Weight: 250.318
• Hs Code.: 2931900090
• European Community (EC) Number: 225-897-8
• NSC Number: 407872
• DSSTox Substance ID: DTXSID2063715
• Nikkaji Number: J50.284G
• Wikidata: Q11751629
• ChEMBL ID: CHEMBL363067
• Mol file: 5137-70-2.mol

Synonyms:Dodecylphosphonic acid;n-Dodecylphosphonic acid;5137-70-2;Phosphonic acid, dodecyl-;n-Dodecanephosphonic acid;Dodecane phosphonic acid;N-DODECYLPHOSPHONICACID;1-Dodecylphosphonic Acid;1-Dodecanephosphonic acid;n-Dodecyl phosphonic acid;Dodecyl-phosphonic acid;EINECS 225-897-8;NSC 407872;BRN 1778341;Phosphonic acid, P-dodecyl-;CHEMBL363067;MFCD00015832;D0U5US;WLN: QPQO&12;SCHEMBL194178;DTXSID2063715;BDBM50170845;NSC407872;AKOS015899842;NSC-407872;AS-58176;LS-106590;CS-0152175;D4809;FT-0733161;D90334

Chemical Property of Dodecylphosphonic acid

Chemical Property:

• Vapor Pressure: 5.9E-07mmHg at 25°C
• Melting Point: 68-70°C
• Boiling Point: 383.8 °C at 760 mmHg
• Flash Point: 185.9 °C
• PSA: 67.34000
• Density: 1.018 g/cm³
• LogP: 4.08500
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Sparingly soluble in water.
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 250.16978172
• Heavy Atom Count: 16
• Complexity: 189

Purity/Quality:

99%, ^*data from raw suppliers

n-Dodecylphosphonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCP(=O)(O)O
• General Description: N-Dodecylphosphonic acid (DPA) is an effective solid Bronsted acid catalyst used in the one-pot synthesis of dihydropyrimidinones via Biginelli condensation under solvent-free conditions. It offers advantages such as high reaction yields, short reaction times, easy work-up, and the use of a cost-effective, moderately acidic, and safe catalyst. DPA demonstrates broad applicability in synthesizing biologically active dihydropyrimidinones and their thioxo derivatives, making it a practical alternative to traditional methods.

Technology Process of Dodecylphosphonic acid

There total 9 articles about Dodecylphosphonic acid 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: 90.0%

dodecylphosphonate de dimethyle (16693-57-5) → dodecylphosphonic acid (5137-70-2)

Guidance literature:

With trimethylsilyl bromide; In dichloromethane; at 40 ℃; for 3h;

DOI:10.1021/ma047912w

Reference yield: 61.0%

1-dodecylbromide (143-15-7) → dodecylphosphonic acid (5137-70-2)

Guidance literature:

1-dodecylbromide; With potassium hydroxide semihydrate; phosphorus; cetyltrimethylammonim bromide; In water; toluene; at 85 - 90 ℃; for 6h; Inert atmosphere;

With nitric acid; In water; at 100 - 110 ℃; for 2h; pH=4; Inert atmosphere;

DOI:10.1002/ejoc.202100067

Reference yield:

C18H43O3PSi2 → dodecylphosphonic acid (5137-70-2)

Guidance literature:

With methanol; In dichloromethane; for 1h;

DOI:10.1080/10426500210664

upstream raw materials:

dodecyl-phosphonic acid dibutyl ester

dodecylphosphonate de dimethyle

1-dodecene

diethyl n-dodecylphosphonate

Downstream raw materials:

diethyl n-dodecylphosphonate

Isopropyldodecylfluorophosphonate

Refernces

One-pot synthesis of dihydropyrimidinones by dodecylphosphonic acid as solid Bronsted acid catalyst under solvent-free conditions via Biginelli condensation

10.1007/BF03245884

The research focuses on the one-pot synthesis of dihydropyrimidinones, which are organic compounds with significant biological activities such as antiviral, antitumor, antibacterial, and anti-inflammatory properties. The study aims to improve upon the traditional Biginelli condensation method, which has been criticized for its low yields, particularly with aliphatic and some substituted aromatic aldehydes. The researchers introduce dodecylphosphonic acid (DPA) as a solid Bronsted acid catalyst to facilitate the reaction under solvent-free conditions. The chemicals used in the process include aldehydes, α-dicarbonyl compounds, urea or thiourea, and DPA as the catalyst. The conclusions drawn from the research highlight the efficiency of the DPA-catalyzed method, which offers advantages such as high yields, short reaction times, easy work-up, and the use of a cheap, relatively moderate acidic, and safe catalyst. The study successfully synthesized a series of dihydropyrimidinones and their 2-thioxo counterparts, demonstrating the protocol's generality and effectiveness.

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