Deoxy Risedronic Acid

Base Information

• Chemical Name: Deoxy Risedronic Acid
• CAS No.: 75755-10-1
• Molecular Formula: C₇H₁₁NO₆P₂
• Molecular Weight: 267.115
• Hs Code.: 2933399090
• UNII: KU59Z0XVL4
• DSSTox Substance ID: DTXSID10226653
• Nikkaji Number: J1.627.318J
• Wikidata: Q27087887
• Pharos Ligand ID: 9RJVC3L2FXXG
• ChEMBL ID: CHEMBL98110
• Mol file: 75755-10-1.mol

Synonyms:Deoxy Risedronic Acid;75755-10-1;NE58043;(1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;UNII-KU59Z0XVL4;KU59Z0XVL4;(2-(Pyridin-3-yl)ethylidene)bis(phosphonic acid);NE 58043;CHEMBL98110;Phosphonic acid, P,P'-(2-(3-pyridinyl)ethylidene)bis-;Risedronate sodium 2.5-hydrate impurity E [EP];[1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid;[2-(3-pyridinyl)ethylidene-1,1]bis(phosphonic acid);[2-(Pyridin-3-yl)ethylidene]bis(phosphonic Acid);Risedronate impurity E;D0Y3XR;GTPL3179;SCHEMBL2459769;DTXSID10226653;BDBM50138725;[2-(3-Pyridyl)ethylidene]bisphosphonic acid;FT-0665852;EN300-11687058;(1-Phosphono-2-pyridin-3-yl-ethyl)-phosphonic acid;Q27087887;Z2044773533;RISEDRONATE SODIUM 2.5-HYDRATE IMPURITY E [EP IMPURITY];Risedronate impurity E, European Pharmacopoeia (EP) Reference Standard;Phosphonic acid, P,P'-[2-(3-pyridinyl)ethylidene]bis-;Phosphonic acid, [2-(3-pyridinyl)ethylidene]bis- (9CI);Risedronate Imp. E (EP);Risedronate Related Compound C;Risedronate Sodium 2.5-Hydrate Impurity E;Risedronate Impurity E

Chemical Property of Deoxy Risedronic Acid

Chemical Property:

• Boiling Point: 655.7±65.0 °C(Predicted)
• PKA: 0.59±0.10(Predicted)
• PSA: 147.57000
• Density: 1.732±0.06 g/cm3(Predicted)
• LogP: 0.30560
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 267.00616107
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

98% ^*data from raw suppliers

DeoxyRisedronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 9562253
• Hazard Codes: Xi
• Statements: 42/43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CC(P(=O)(O)O)P(=O)(O)O
• Uses: Deoxy Risedronic Acid is the deoxy analogue of pyridinyl biphosphonate bone resorption inhibitor Risedronic Acid (R521500). Deoxy Risedronic Acid can be conjugated to create fluorescent bisphosphonate probes to visualize osteoclast resorption in vitro.

Technology Process of Deoxy Risedronic Acid

There total 2 articles about Deoxy Risedronic 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:

[2-(3-pyridyl)ethyl]-1,1-bis(diethylphosphonate) (144677-12-3) → deoxyrisedronic acid (75755-10-1)

Guidance literature:

With trimethylsilyl bromide;

DOI:10.1021/jm0303709

Reference yield:

3-picolyl bromide (69966-55-8) → deoxyrisedronic acid (75755-10-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH

2: TMSBr

With trimethylsilyl bromide; sodium hydride;

DOI:10.1021/jm0303709

upstream raw materials:

[2-(3-pyridyl)ethyl]-1,1-bis(diethylphosphonate)

3-picolyl bromide