(Aminomethylene)bisphosphonic acid

Base Information

• Chemical Name: (Aminomethylene)bisphosphonic acid
• CAS No.: 29712-28-5
• Molecular Formula: CH7 N O6 P2
• Molecular Weight: 191.017
• Hs Code.: 2931900090
• European Community (EC) Number: 249-801-9
• NSC Number: 669693
• UNII: KHY4DLT4EC
• DSSTox Substance ID: DTXSID40183861
• Nikkaji Number: J286.944F
• Wikidata: Q83054710
• ChEMBL ID: CHEMBL2251377
• Mol file: 29712-28-5.mol

Synonyms:(AMINOMETHYLENE)BISPHOSPHONIC ACID;29712-28-5;[amino(phosphono)methyl]phosphonic acid;Phosphonic acid, (aminomethylene)bis-;AMINOMETHYLENEBISPHOSPHONIC ACID;KHY4DLT4EC;Phosphonic acid, P,P'-(aminomethylene)bis-;EINECS 249-801-9;NSC669693;NSC-669693;UNII-KHY4DLT4EC;CH7NO6P2;aminomethane diphosphonic acid;SCHEMBL402218;amino methane diphosphonic acid;aminomethylene bisphosphonic acid;CHEMBL2251377;aminomethylenebis(phosphonic acid);DTXSID40183861;C-H7-N-O6-P2;MFCD00617114;AKOS003625125;AMINOMETHANEBIS(PHOSPHONIC ACID);P,P'-(AMINOMETHYLENE)BIS(PHOSPHONIC ACID)

Chemical Property of (Aminomethylene)bisphosphonic acid

Chemical Property:

• Vapor Pressure: 5E-15mmHg at 25°C
• Melting Point: 290-292 °C
• Boiling Point: 581.4°Cat760mmHg
• PKA: 0?+-.0.10(Predicted)
• Flash Point: 305.4°C
• PSA: 160.70000
• Density: 2.185g/cm³
• LogP: -0.71560
• XLogP3: -6.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 190.97486094
• Heavy Atom Count: 10
• Complexity: 178

Purity/Quality:

99%, ^*data from raw suppliers

(AMINO-PHOSPHONO-METHYL)-PHOSPHONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (Aminomethylene)bisphosphonic acid

There total 13 articles about (Aminomethylene)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: 96.0%

C13H39NO6P2Si4 → aminomethylenebis(phosphonic acid) (29712-28-5)

Guidance literature:

With methanol; In diethyl ether; at 10 ℃; Reflux; Inert atmosphere;

DOI:10.1002/hc.21220

Reference yield: 96.0%

N,O,O,O,O-penta(trimethylsilyl)aminomethylenediphosphonate (1259009-07-8) → aminomethylenebis(phosphonic acid) (29712-28-5)

Guidance literature:

With methanol; at 10 ℃; Reflux;

DOI:10.1134/S1070363210090318

Reference yield: 95.0%

tetraethyl (aminomethylene)bis(phosphonate) (80474-99-3) → aminomethylenebis(phosphonic acid) (29712-28-5)

Guidance literature:

With hydrogenchloride; In water; Heating;

DOI:10.1002/ejic.200600615

upstream raw materials:

Amidinomethylendiphosphonsaeure Tetra-Natriumsalz

p-toluidine

formamide

tetraethyl (aminomethylene)bis(phosphonate)

Downstream raw materials:

disodium [(3-phenylureido)methylene]bisphosphonate trihydrate

N₃-phenylthioureidomethylenebisphosphonic acid disodium salt

N-(diphosphonomethyl)-L-aspartic acid

{3-[4-(dimethylamino)phenyl]thioureido}methylenebisphosphonic acid

Refernces

• 1、 Kantoci, Darko,Kane Denike,Wechter, William J.. "Synthesis of aminobisphosphonate". . p. 2037 - 2043. Retrieved 1996.
• 2、 Bailly, Théodorine,Burgada, Ramon,Prangé, Thierry,Lecouvey, Marc. "Synthesis of tetradentate mixed bisphosphonates - New hydroxypyridinonate ligands for metal chelation therapy". . p. 189 - 192. Retrieved 2003.
• 3、 Miszczyk, Atrycja,Turowska-Tyrk, Ilona,Kafarski, Pawel,Chmielewska, Ewa. "Hree-component reaction of benzylamines, diethyl phosphite and triethyl orthoformate: Dependence of the reaction course on the structural features of the substrates and reaction conditions". . . Retrieved 2017/03/24.