(1-Aminoethylidene)bisphosphonic acid

Base Information

• Chemical Name: (1-Aminoethylidene)bisphosphonic acid
• CAS No.: 15049-85-1
• Molecular Formula: C2H9 N O6 P2
• Molecular Weight: 205.044
• Hs Code.: 2931900090
• European Community (EC) Number: 239-120-5
• DSSTox Substance ID: DTXSID50164560
• Nikkaji Number: J241.378G
• Wikidata: Q83033627
• ChEMBL ID: CHEMBL371748
• Mol file: 15049-85-1.mol

Synonyms:(1-Aminoethylidene)bisphosphonic acid;15049-85-1;(1-amino-1-phosphonoethyl)phosphonic acid;CHEMBL371748;EINECS 239-120-5;(1-Aminoethane-1,1-diyl)diphosphonic acid;SCHEMBL143769;1-amino-1,1-diphosphono ethane;1-aminoethylidenediphosphonic acid;DTXSID50164560;1-Aminoethylidenebisphosphonic acid;1-aminoethane-1,1-diphosphonic acid;BDBM50173054;STL347102;1-amino ethane-1,1-diphosphonic acid;1-aminoethane-1, 1-diphosphonic acid;1-aminoethane-1,1 -diphosphonic acid;AKOS001015792;(1-Aminoethane-1,1-diyl)diphosphonicacid;(1-Amino-1-phosphono-ethyl)-phosphonic acid;CS-0260872;(1-aminoethane-1,1-diyl)bis(phosphonic acid);EN300-761718;Z56771117

Chemical Property of (1-Aminoethylidene)bisphosphonic acid

Chemical Property:

• Vapor Pressure: 4.16E-13mmHg at 25°C
• Boiling Point: 540.3°Cat760mmHg
• Flash Point: 280.6°C
• PSA: 160.70000
• Density: 1.979g/cm³
• LogP: -0.32550
• XLogP3: -6.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 204.99051100
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1-Aminoethylidene)bisphosphonic acid

There total 7 articles about (1-Aminoethylidene)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: 98.0%

tetrakis(trimethylsilyl) (1-aminoethane-1,1-diyl) bisphosphonate (1605320-74-8) → 1-amino-ethane-1,1-diphosphonic acid (15049-85-1)

Guidance literature:

With methanol; In diethyl ether; Reflux;

DOI:10.1007/s11172-016-1289-z

Reference yield: 85.0%

→ 1-amino-ethane-1,1-diphosphonic acid (15049-85-1)

Guidance literature:

Reference yield: 80.0%

acetamide (60-35-5) → 1-amino-ethane-1,1-diphosphonic acid (15049-85-1)

Guidance literature:

acetamide; With phosphonic Acid; benzenesulfonic acid; at 65 - 70 ℃; for 0.333333h; Inert atmosphere;

With phosphorus trichloride; at 65 - 70 ℃; for 5h; Inert atmosphere;

With hydrogenchloride; In water; for 4h; Reflux; Inert atmosphere;

DOI:10.1134/S1068162012020124

upstream raw materials:

acetonitrile

phosphonic acid diethyl ester

acetamide

tetrakis(trimethylsilyl) (1-aminoethane-1,1-diyl) bisphosphonate

Downstream raw materials:

phosphonic Acid

Refernces

Amidoalkylation of phosphorus trichloride with acetamide and alkyl oxocycloalkanecarboxylates

10.1080/10426500902737356

The research investigates the amidoalkylation reaction of phosphorus trichloride with acetamide and alkyl oxocycloalkanecarboxylates. The study focuses on the production of side-products during this reaction. Key chemicals involved include phosphorus trichloride, acetamide, and various ethyl oxoalkanecarboxylates such as ethyl 2-oxocyclopentanecarboxylate, ethyl 1-oxocyclohexanecarboxylate, and ethyl 4-oxocyclohexanecarboxylate. The reaction yielded several products, including 2-amino-2-phosphonocycloalkanecarboxylic acids, 1-aminocycloalkanephosphonic acids, 1-aminoethane-1,1-diphosphonic acids, and 1-hydroxyethane-1,1-diphosphonic acids. The study highlights the formation of these side-products and their impact on the overall reaction pathway, providing insights into the limitations of the amidoalkylation procedure.

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