Skip to main content
Propanoic acid, 2,2-dimethyl-, 1,1',1',1'''-[methylenebis[phosphinylidynebis(oxymethylene)]] ester CAS#: 134606-34-1
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NamePropanoic acid, 2,2-dimethyl-, 1,1',1',1'''-] esterIUPAC Nameoxymethyl 2,2-dimethylpropanoateMolecular StructureCAS Registry Number 134606-34-1Synonyms134606-34-1Tetrakis methylenediphosphonateSCHEMBL2458617UNXRGZHZKHCCJB-UHFFFAOYSA-NE87254methylenebisphosphonic acid tetra(pivaloyloxymethyl) ester(METHYLENEBIS(PHOSPHORYL)TETRAKIS(OXY))TETRAKIS(METHYLENE) TETRAKIS(2,2-DIMETHYLPROPANOATE)oxymethyl 2,2-dimethylpropanoateMolecular FormulaC25H46O14P2 Molecular Weight632.6InChIInChI=1S/C25H46O14P2/c1-22(2,3)18(26)32-13-36-40(30,37-14-33-19(27)23(4,5)6)17-41(31,38-15-34-20(28)24(7,8)9)39-16-35-21(29)25(10,11)12/h13-17H2,1-12H3 InChI KeyUNXRGZHZKHCCJB-UHFFFAOYSA-NIsomeric SMILESCC(C)(C)C(=O)OCOP(=O)(CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

Physical Data

AppearanceWhite powder

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts1Hchloroform-d1Chemical shifts1Hchloroform-d1400Chemical shifts1Hchloroform-d1500Chemical shifts31Pchloroform-d1500

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Propanoic acid, 2,2-dimethyl-, 1,1',1',1'''-] ester CAS 134606-34-1

ConditionsYieldWith potassium hydroxide In toluene at 40℃; for 8h;Experimental Procedurea.35 Preparation of compound 46-5:To a solution of 46-4 (3.3 g, 12.6 mmol) in toluene (30 mL) was added POM ester (7.9 g, 12.6 mmol) and KOH (1.3 g, 22.6 mmol) at room temperature. The reaction mixture was stirred at 40°C for 8 hours. LCMS showed 46-4 was consumed. The mixture was diluted with water and EA was added. The product was extracted with EA. The organic layer was washed with brine and dried over Na2SO4and concentrated to give the crude. The crude was purified by Flash-Prep-HPLC with the following conditions (IntelFlash-1): Column, C18 silica gel; mobile phase, CH3CN/H2O (0.5% NH4HCO3) = 1/1 increasing to CH3CN/H2O (0.5% NH4HCO3) = 1/0 within 20 min, the eluted product was collected at CH3CN/H2O (0.5% NH4HCO3) = 91/9 Detector, UV 254 nm. This resulted in 46-5 (5.4 g, 9.5 mmol, 75.9% yield) as an oil. ESI-LCMS: m/z 567.2 +; 1H-NMR (400 MHz, CDCl3) δ 6.89-6.77(m, 1H), 6.07-5.96(m, 1H), 5.86-5.55(m, 4H), 4.85 -4.73(m, 1H), 4.36-4.27(m, 1H), 4.05-3.96(m, 1H), 3.95-3.85(m, 1H), 3.73-3.65(m, 1H), 3.44-3.35 (m, 3H), 1.30-1.25(s, 18H), 0.94-0.84(s, 9H), 0.14-0.05(s, 6H). 31P-NMR (162 MHz, CDCl3) δ 18.30, 15.11.75.9%

Safety and Hazards

No data available

Other Data

TransportationStorage at -20°,keep away from light and sealedHS CodeStorageStorage at -20°,keep away from light and sealedShelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight632.579logP2.534HBA14HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)195.88Rotatable Bond (RotB)22Matching Veber Rules0

Use PatternPropanoic acid, 2,2-dimethyl-, 1,1',1',1'''-] ester CAS 134606-34-1 is used in IVD.
https://www.chemwhat.com/propanoic-acid-22-dimethyl-1111-methylenebisphosphinylidynebisoxymethylene-ester-cas-134606-34-1/

Comments

Post a Comment

Popular posts from this blog

BCB (Benzocyclobutene): — Watson International Enables the Transition from Concept to Scalable Application

Benzocyclobutene (BCB) is an organic compound with a rigid molecular structure composed of a conjugated benzene ring and a four-membered ring. Its excellent thermal stability and electrical properties have made it a highly promising candidate for next-generation electronic materials. Historically, its industrial adoption has been constrained by high production costs, complex purification processes, and limited output. However, with growing demand in high-end applications and recent advances in upstream technology, BCB is now poised for industrial-scale deployment. Material Properties and Structural Advantages BCB (C₈H₈) is a non-polar molecule, free of ester, carboxyl, or amide groups, giving it excellent dielectric properties and low moisture absorption. Its dielectric constant (Dk) and dissipation factor (Df) remain stable across wide temperature and frequency ranges—key metrics for ensuring signal integrity in high-frequency, high-speed communication systems. Unlike conventional m...
Post a Comment
Read more

The World's Largest Producer of Squaric Acid Emerges: Watson Leads the Way

In a groundbreaking development for the chemical industry, Watson has officially claimed the title of the world’s largest producer of squaric acid. This achievement marks a significant milestone, positioning the company as a global leader in the production of this highly versatile compound, widely valued in pharmaceuticals, polymer research, and advanced materials. What is Squaric Acid? Squaric acid, also known as quadratic acid, is a four-carbon cyclic diketone with two ketone groups and two hydroxyl groups arranged symmetrically. It is renowned for its stability and strong acidity, making it a unique compound in both organic and inorganic chemistry. Its derivatives find applications in creating advanced coatings, conductive polymers, and as intermediates in drug synthesis. Watson: Redefining Excellence in Squaric Acid Production Watson’s rise to the top of the squaric acid industry is backed by its unmatched production capacity, cutting-edge technology, and unwavering commitment...
Post a Comment
Read more

BCB (Benzocyclobutene): — Watson International Enables the Transition from Concept to Scalable Application

Despite BCB’s well-established performance advantages, its commercialization has long been hindered by production cost and scalability challenges. Watson International has made critical breakthroughs in BCB industrialization through integrated innovation in synthesis, purification, and material formulation: Cost Reduction: By optimizing synthetic pathways and improving by-product recovery, Watson has significantly reduced the unit production cost of BCB, enabling cost-effective scaling; High Purity Production: Advanced purification and process control technologies ensure high-purity BCB under mass-production conditions—meeting stringent requirements from high-end electronic manufacturers; Versatile Co-polymerization: Watson’s BCB materials are compatible with other advanced resins such as BMI and PPO, allowing for custom co-polymer design and performance tuning.
Post a Comment
Read more