((Butylimino)bis(methylene))bisphosphonic acid

Base Information

• Chemical Name: ((Butylimino)bis(methylene))bisphosphonic acid
• CAS No.: 5995-28-8
• Molecular Formula: C6H17 N O6 P2
• Molecular Weight: 261.152
• European Community (EC) Number: 227-827-1
• UNII: VUH6DU2BZV
• DSSTox Substance ID: DTXSID90208654
• Nikkaji Number: J223.933G
• Wikidata: Q83082763
• Mol file: 5995-28-8.mol

Synonyms:5995-28-8;((Butylimino)bis(methylene))bisphosphonic acid;[(butylimino)bis(methylene)]bisphosphonic acid;VUH6DU2BZV;EINECS 227-827-1;[butyl(phosphonomethyl)amino]methylphosphonic acid;(BUTYL(PHOSPHONOMETHYL)AMINO)METHYLPHOSPHONIC ACID;UNII-VUH6DU2BZV;C4H3N2O2T;C6H17NO6P2;SCHEMBL10643497;DTXSID90208654;C4-H3-N2-O2-T;C6-H17-N-O6-P2;STK040101;AKOS001710894;Butyliminobismethylenebisphosphonic acid;[(butylimino)dimethanediyl]bis(phosphonic acid);SR-01000508029;{[butyl(phosphonomethyl)amino]methyl}phosphonic acid;SR-01000508029-1;((BUTYLIMINO)DIMETHYLENE)BIS(PHOSPHONIC ACID);PHOSPHONIC ACID, ((BUTYLIMINO)BIS(METHYLENE))BIS-

Chemical Property of ((Butylimino)bis(methylene))bisphosphonic acid

Chemical Property:

• Vapor Pressure: 8.12E-12mmHg at 25°C
• Boiling Point: 510.9°C at 760 mmHg
• Flash Point: 262.8°C
• PSA: 137.92000
• Density: 1.508g/cm³
• LogP: 0.35890
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 261.05311126
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

[(BUTYLIMINO)BIS(METHYLENE)]BISPHOSPHONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ((Butylimino)bis(methylene))bisphosphonic acid

There total 1 articles about ((Butylimino)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: 72.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-butylamine (109-73-9,85404-21-3) → butylamino-N,N-bis(methylphosphonic acid) (5995-28-8)

Guidance literature:

N-butylamine; With hydrogenchloride; phosphonic Acid; In water; at 120 ℃; for 1h;

formaldehyd; In water; for 1h; Heating;

DOI:10.1016/j.molstruc.2005.03.008

Reference yield: 59.0%

lead(II) carbonate (790616-79-4) + benzene-1,3,5-tricarboxylic acid (554-95-0) + butylamino-N,N-bis(methylphosphonic acid) (5995-28-8) → [Pb5(butylimino-bis(methylenephosphonato)(-3H))2(butylimino-bis(methylenephosphonato)(-4H))]*1,3,5-benzenetricarboxylic acid

Guidance literature:

In water; High Pressure; sealing of mixt. of PbCO3, butylimino-bis(methylenephosphonic acid), 1,3,5-benzenetricarboxylic acid and water into bomb; heating at 180°C for 5 days; crystn., elem. anal.;

DOI:10.1016/j.molstruc.2005.03.008

upstream raw materials:

formaldehyd

N-butylamine

Refernces

• 1、 Liu, Li,Liu, Changhua,Nie, Ling,Jiang, Ting,Hong, Jing,Zhang, Xiaomei,Luo, Liehong,Wang, Xiaolan. "Study on the synergistic antibacterial effect of silver-carried layered zirconium alkyl-N,N-dimethylenephosphonate". . p. 66 - 72. Retrieved 2015/07/07.