((Propylimino)bis(methylene))diphosphonic acid

Base Information

• Chemical Name: ((Propylimino)bis(methylene))diphosphonic acid
• CAS No.: 5995-27-7
• Molecular Formula: C5H15 N O6 P2
• Molecular Weight: 247.125
• European Community (EC) Number: 227-826-6
• DSSTox Substance ID: DTXSID10975371
• Nikkaji Number: J223.932I
• Wikidata: Q82959907
• Mol file: 5995-27-7.mol

Synonyms:5995-27-7;((Propylimino)bis(methylene))diphosphonic acid;SCHEMBL10647863;DTXSID10975371;BDBM233153;EINECS 227-826-6;Propyliminobismethylenebis(phosphonic acid);N-Propyliminobis(methylenephosphonic acid) (3);[(Propylazanediyl)bis(methylene)]bis(phosphonic acid)

Chemical Property of ((Propylimino)bis(methylene))diphosphonic acid

Chemical Property:

• Vapor Pressure: 9.31E-12mmHg at 25°C
• Boiling Point: 509.5°C at 760 mmHg
• Flash Point: 261.9°C
• PSA: 70.22000
• Density: 1.577g/cm³
• LogP: 2.97480
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 247.03746119
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ((Propylimino)bis(methylene))diphosphonic acid

There total 3 articles about ((Propylimino)bis(methylene))diphosphonic 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: 83.4%

propylamine (107-10-8,42939-71-9) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → propylamino-N,N-bis(methylphosphonic acid) (5995-27-7)

Guidance literature:

propylamine; With hydrogenchloride; phosphorous acid; In water; for 2h; Reflux;

formaldehyd; for 4h; Reflux;

DOI:10.1016/j.molstruc.2018.05.074

Reference yield: 79.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethylenediamine (107-15-3,85404-18-8) → propylamino-N,N-bis(methylphosphonic acid) (5995-27-7)

Guidance literature:

ethylenediamine; With hydrogenchloride; phosphorous acid; In water; for 2h; Reflux;

formaldehyd; for 4h; Reflux;

DOI:10.1016/j.molstruc.2018.05.074

Reference yield:

NN-bis(phosphonomethylene)-α-aminobutyric acid (68345-06-2) → propylamino-N,N-bis(methylphosphonic acid) (5995-27-7)

Guidance literature:

With nitric acid; In water; Heating;

upstream raw materials:

propylamine

formaldehyd

NN-bis(phosphonomethylene)-α-aminobutyric acid

ethylenediamine

Refernces

• 1、 Gholivand, Khodayar,Yaghoubi, Rouhollah,Farrokhi, Alireza,Khoddami, Shahram. "Two new supramolecular metal diphosphonates: Synthesis, characterization, crystal structure and inhibiting effects on metallic corrosion". . p. 23 - 30. Retrieved 2016.
• 2、 Strunin, B. P.,Khizbullin, F. F.. "REACTIONS OF METHYLENEPHOSPHONIC ACIDS WITH DILUTE NITRIC ACID". . p. 477 - 481. Retrieved 2007/10/02.