[(Dodecylimino)bis(methylene)]bisphosphonic acid

Base Information

• Chemical Name: [(Dodecylimino)bis(methylene)]bisphosphonic acid
• CAS No.: 5995-33-5
• Molecular Formula: C14H33 N O6 P2
• Molecular Weight: 373.367
• European Community (EC) Number: 227-831-3
• DSSTox Substance ID: DTXSID10208656
• Nikkaji Number: J223.937J
• Wikidata: Q83082766
• Mol file: 5995-33-5.mol

Synonyms:5995-33-5;[(Dodecylimino)bis(methylene)]bisphosphonic acid;((Dodecylimino)bis(methylene))bisphosphonic acid;EINECS 227-831-3;SCHEMBL9507101;DTXSID10208656;C14-H33-N-O6-P2;STK525524;AKOS005458988;dodecyliminobismethylenebisphosphonic acid;[(dodecylimino)dimethanediyl]bis(phosphonic acid);(DODECYL(PHOSPHONOMETHYL)AMINO)METHYLPHOSPHONIC ACID

Chemical Property of [(Dodecylimino)bis(methylene)]bisphosphonic acid

Chemical Property:

• Vapor Pressure: 2.82E-14mmHg at 25°C
• Boiling Point: 565.7°C at 760 mmHg
• Flash Point: 295.9°C
• PSA: 137.92000
• Density: 1.223g/cm³
• LogP: 3.47970
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 373.17831177
• Heavy Atom Count: 23
• Complexity: 358

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O

Technology Process of [(Dodecylimino)bis(methylene)]bisphosphonic acid

There total 2 articles about [(Dodecylimino)bis(methylene)]bisphosphonic 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: 50.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + n-Dodecylamine (124-22-1) → n-dodecamethylamine-bis(methylenephosphonic acid) (5995-33-5)

Guidance literature:

With hydrogenchloride; phosphonic Acid; In water;

DOI:10.1021/acs.cgd.7b00959

Reference yield:

→ n-dodecamethylamine-bis(methylenephosphonic acid) (5995-33-5)

Guidance literature:

With hydrogenchloride; phosphorous acid; In water; for 1.5h; Reflux;

In water; for 1h; Reflux;

upstream raw materials:

formaldehyd

n-Dodecylamine

Refernces

• 1、 -. "Application of organic phosphonic acid compounds, perovskite solar cell film and method for preparing same". Paragraph 0115; 0116; 0117; 0118; 0119; 0120; 0121. . Retrieved 2017/10/07.