[(Dimethylamino)methylene]bisphosphonic acid

Base Information

• Chemical Name: [(Dimethylamino)methylene]bisphosphonic acid
• CAS No.: 29712-30-9
• Deprecated CAS: 115008-47-4
• Molecular Formula: C3H11 N O6 P2
• Molecular Weight: 219.071
• Hs Code.: 2931900090
• European Community (EC) Number: 249-802-4
• DSSTox Substance ID: DTXSID2049717
• Nikkaji Number: J286.945D
• Wikidata: Q81984663
• ChEMBL ID: CHEMBL331436
• Mol file: 29712-30-9.mol

Synonyms:dimethylaminomethanediphosphonate;DMAMDP;N,N-dimethylaminomethane diphosphonic acid;N,N-dimethylaminomethane diphosphonic acid, monosodium salt;N,N-dimethylaminomethane diphosphonic acid, trisodium salt

Chemical Property of [(Dimethylamino)methylene]bisphosphonic acid

Chemical Property:

• Vapor Pressure: 5.96E-11mmHg at 25°C
• Boiling Point: 490.2°C at 760 mmHg
• Flash Point: 250.3°C
• PSA: 137.92000
• LogP: -0.81300
• XLogP3: -5.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 219.00616107
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(P(=O)(O)O)P(=O)(O)O

Technology Process of [(Dimethylamino)methylene]bisphosphonic acid

There total 10 articles about [(Dimethylamino)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: 97.0%

tetra(trimethylsilyl) dimethylaminomethylenediphosphonate (106753-26-8) → (dimethylaminomethylene)diphosphonic acid (29712-30-9)

Guidance literature:

With methanol; at 10 ℃; Reflux; Inert atmosphere;

DOI:10.1002/hc.21100

Reference yield: 82.0%

→ (dimethylaminomethylene)diphosphonic acid (29712-30-9) + 1-chlorododecane (112-52-7)

Guidance literature:

Reference yield: 75.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) → (dimethylaminomethylene)diphosphonic acid (29712-30-9)

Guidance literature:

With water; phosphorus trichloride; at 60 - 70 ℃;

upstream raw materials:

tetraethyl dimethylaminomethylenediphosphonate

N,N-dimethyl-formamide

Dimethylaminomethan-trisphosphonsaeurehexaethylester

tetra(trimethylsilyl) dimethylaminomethylenediphosphonate

Downstream raw materials:

tetraethyl dimethylaminomethylenediphosphonate