Tetraisopropyl methylenediphosphonate - ≥98% , CAS No.1660-95-3

CAS: 1660-95-3 Cat. No.: T100897 Molecular Weight: 344.32 Beilstein Registry Number: 1080180 EC Number: 216-765-0 PubChem CID: 74266

GRADE & PURITY ≥98%

Synonyms

Methylenediphosphonic Acid Tetraisopropyl Ester | Methylenephosphonic acid tetraisopropyl ester | ((DIISOPROPOXYPHOSPHINYL)METHYL)DIISOPROPOXYPHOSPHINE OXIDE | FT-0653196 | DTXCID5024847 | AKOS003600014 | EINECS 216-765-0 | EN300-203931 | AS-64438 | DTXSI

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Tetraisopropyl methylenediphosphonate (IPCP) is a tetraisopropyl ester of methylenediphosphonic acid. It is an electroneutral ligand, reported to be synthesized from triisopropyl phosphate. Powder electron paramagnetic resonance (EPR) studies of tris complexes of Cu(II) complexes with IPCP has been analyzed.

Specifications

Synonyms

Methylenediphosphonic Acid Tetraisopropyl Ester | Methylenephosphonic acid tetraisopropyl ester | ((DIISOPROPOXYPHOSPHINYL)METHYL)DIISOPROPOXYPHOSPHINE OXIDE | FT-0653196 | DTXCID5024847 | AKOS003600014 | EINECS 216-765-0 | EN300-203931 | AS-64438 | DTXSI

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184897
• Canonical Smiles: CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
• IUPAC Name: 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
• InChIKey: ODTQUKVFOLFLIQ-UHFFFAOYSA-N
• INCHI: 1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
• Isomeric SMILES: CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
• WGK Germany: 3
• PubChem CID: 74266
• Molecular Weight: 344.32
• Beilstein: 1080180
• Reaxy-Rn: 1080180

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Dialkyl alkylphosphonates Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Dialkyl alkylphosphonate - Phosphonic acid diester - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Refractive Index: 1.431-1.435
• Flash Point(°F): 320 °F
• Flash Point(°C): 159℃
• Boil Point(°C): 155°C
• Molecular Weight: 344.320 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 344.152 Da
• Monoisotopic Mass: 344.152 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 328.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Shen Yan, Fang Nan, Liu Xinru, Ling Yu, Su Yuming, Tan Tian, Chen Feng, Lin He, Zhao Boxuan, Wang Jin, Si Duanhui, Xie Shunji, Wang Ye, Zhou Da, Zhang Teng, Cao Rong, Wang Cheng.  (2025)  Observation of metal-organic interphase in Cu-based electrochemical CO2-to-ethanol conversion.  Nature Communications,  16  (1): (1-18).  [PMID:40021652] [10.1038/s41467-025-57221-x]