Heptylphosphonic Acid

Base Information

• Chemical Name: Heptylphosphonic Acid
• CAS No.: 4721-16-8
• Molecular Formula: C7H17O3P
• Molecular Weight: 180.18
• European Community (EC) Number: 811-083-5
• Nikkaji Number: J521.214F
• Mol file: 4721-16-8.mol

Synonyms:Heptylphosphonic Acid;4721-16-8;n-Heptylphosphonic acid;n-heptanephosphonic acid;SCHEMBL700501;MFCD00015840;AKOS006280821;CS-0373882;H1535;T72501

Chemical Property of Heptylphosphonic Acid

Chemical Property:

• Melting Point: 105.0 to 109.0 °C
• PSA: 67.34000
• LogP: 2.13450
• Solubility.: soluble in Methanol
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 180.09153140
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

N-HeptylphosphonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCP(=O)(O)O

Technology Process of Heptylphosphonic Acid

There total 8 articles about Heptylphosphonic 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: 66.0%

1-Bromoheptane (629-04-9) → n-heptylphosphonic acid (4721-16-8)

Guidance literature:

1-Bromoheptane; 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: 66.0%

dimethyl heptylphosphonate (6172-70-9) → n-heptylphosphonic acid (4721-16-8)

Guidance literature:

With methanesulfonic acid; dimethylsulfide; for 54h; Ambient temperature;

DOI:10.1055/s-1983-30373

Reference yield:

heptyl-phosphonic acid dibutyl ester (83714-42-5) → n-heptylphosphonic acid (4721-16-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01223a046

upstream raw materials:

(1-hydroxy-heptyl)-phosphonic acid

heptylphosphonous dichloride

heptyl-phosphonic acid dibutyl ester

dimethyl heptylphosphonate

Downstream raw materials:

heptylphosphonous dichloride

6'-O-p-aminophenyl-6-heptylphosphonatosucrose

C₅₆H₉₀N₂O₂₈P₂S₂

Refernces

• 1、 Jacob, Laurent,Julia, Marc,Pfeiffer, Bruno,Rolando, Christian. "Selective Demethylation of Mixed Alkyl Methyl Phosphates". . p. 451 - 452. Retrieved 2007/10/02.