Dibutyl propylphosphonate

Base Information

• Chemical Name: Dibutyl propylphosphonate
• CAS No.: 4628-12-0
• Molecular Formula: C11H25O3P
• Molecular Weight: 236.291
• Hs Code.: 2931900090
• NSC Number: 222698
• UNII: C724UGU5SQ
• DSSTox Substance ID: DTXSID70196782
• Nikkaji Number: J50.309F
• Wikidata: Q83069795
• Mol file: 4628-12-0.mol

Synonyms:Dibutyl propylphosphonate;4628-12-0;1-[butoxy(propyl)phosphoryl]oxybutane;Dibutyl propanephosphonate;Phosphonic acid, propyl-, dibutyl ester;NSC 222698;BRN 2413636;Dibutyl(1-propyl)phosphonate;Di-n-butyl 1-propanephosphonate;NSC-222698;Dibutoxypropylphosphine oxide;C724UGU5SQ;SCHEMBL4451507;WLN: 4OPO&3&O4;O,O-dibutyl n-propylphosphonate;C11H25O3P;DTXSID70196782;Propylphosphonic acid, dibutyl ester;MFCD00041391;NSC222698;AKOS017343281;dibutyl(1-propyl)phosphonate, min. 95 %;LS-106772;FT-0625163;Z56763453

Chemical Property of Dibutyl propylphosphonate

Chemical Property:

• Vapor Pressure: 0.00205mmHg at 25°C
• Refractive Index: 1.426
• Boiling Point: 300 °C at 760 mmHg
• Flash Point: 149.1 °C
• PSA: 45.34000
• Density: 0.956 g/cm³
• LogP: 4.22290
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 236.15413165
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

99%, ^*data from raw suppliers

DIBUTYL(1-PROPYL)PHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOP(=O)(CCC)OCCCC

Technology Process of Dibutyl propylphosphonate

There total 5 articles about Dibutyl propylphosphonate 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: 81.0%

propylphosphonic dichloride (4708-04-7) + butan-1-ol (71-36-3) → dibutyl propylphosphonate (4628-12-0)

Guidance literature:

With aluminum oxide; at 20 ℃;

Reference yield:

propylphosphonic acid (4672-38-2) + butan-1-ol (71-36-3) → C7H17O3P (53682-35-2) + dibutyl propylphosphonate (4628-12-0)

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; at 180 ℃; for 5h; Temperature; Overall yield = 67 percent; Microwave irradiation; Green chemistry;

DOI:10.3390/molecules26175303

Reference yield:

C7H17O3P (53682-35-2) + butan-1-ol (71-36-3) → dibutyl propylphosphonate (4628-12-0)

Guidance literature:

With thionyl chloride; at 78 ℃; for 2h;

DOI:10.1002/hc.21304

upstream raw materials:

dibutyl hydrogen phosphite

propyl bromide

propylphosphonic dichloride

butan-1-ol

Downstream raw materials:

propylphosphonic dichloride

Refernces

• 1、 Kovács, Tamara,Fül?p, Laura Szandra,Keglevich, Gy?rgy. "Fragmentation-Related Phosphonylation of Nucleophiles Utilizing P-Alkyl 2,3-oxaphosphabicyclo[2.2.2]octene 3-oxide Precursors". . p. 83 - 90. Retrieved 2016/04/04.