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Ethyl 2-diethoxyphosphorylhexanoate is a chemical compound with the molecular formula C12H25O5P. It is an organophosphorus compound, specifically a phosphonate ester, and is characterized by the presence of a phosphorus atom bonded to two ethoxy groups and an ethyl hexanoate group. ethyl 2-diethoxyphosphorylhexanoate is used as an intermediate in the synthesis of various agrochemicals, pharmaceuticals, and other organic compounds. It is known for its potential reactivity and is typically handled with care due to its sensitivity to moisture and its tendency to hydrolyze. The compound is also recognized for its potential applications in the development of new materials and chemical processes, although its use requires careful consideration of safety and environmental impact.

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  • 4134-14-9 Structure
  • Basic information

    1. Product Name: ethyl 2-diethoxyphosphorylhexanoate
    2. Synonyms:
    3. CAS NO:4134-14-9
    4. Molecular Formula: C12H25O5P
    5. Molecular Weight: 280.2977
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4134-14-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 347.2°C at 760 mmHg
    3. Flash Point: 177.5°C
    4. Appearance: N/A
    5. Density: 1.048g/cm3
    6. Vapor Pressure: 5.46E-05mmHg at 25°C
    7. Refractive Index: 1.434
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: ethyl 2-diethoxyphosphorylhexanoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: ethyl 2-diethoxyphosphorylhexanoate(4134-14-9)
    12. EPA Substance Registry System: ethyl 2-diethoxyphosphorylhexanoate(4134-14-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4134-14-9(Hazardous Substances Data)

4134-14-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4134-14-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,1,3 and 4 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 4134-14:
(6*4)+(5*1)+(4*3)+(3*4)+(2*1)+(1*4)=59
59 % 10 = 9
So 4134-14-9 is a valid CAS Registry Number.

4134-14-9Relevant articles and documents

Anionic versus photochemical diastereoselective deconjugation of diacetone D-glucose α,β-unsaturated esters

Bargiggia, Frederic,Piva, Olivier

, p. 1819 - 1827 (2003)

Deconjugation of diacetone D-glucose α,β-unsaturated esters has been conducted by deprotonation using NaHMDS with HMPA as co-solvent followed by stereoselective protonation at low temperature. High selectivities (>95%) were obtained with α-methyl linear compounds.

Efficient and stable small molecule agonist of v [gamma] 9v delta 2t cells

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Paragraph 0501-0503; 0553-0555, (2019/04/30)

The invention relates to a formula (I) compound as an efficient and stable small molecule agonist of v [gamma] 9v delta 2t cells, wherein the groups are defined in the specification and the claims. The present invention also relates to pharmaceutical compositions containing the formula (I) compound and use thereof in the treatment of proliferative diseases.

Structure optimization of a new class of PPARγ antagonists

Hernandez-Olmos, Victor,Knape, Tilo,Heering, Jan,von Knethen, Andreas,Kilu, Whitney,Kaiser, Astrid,Wurglics, Mario,Helmst?dter, Moritz,Merk, Daniel,Schubert-Zsilavecz, Manfred,Parnham, Michael J.,Steinhilber, Dieter,Proschak, Ewgenij

supporting information, (2019/09/30)

Peroxisome proliferator-activated receptor gamma (PPARγ) modulators have found wide application for the treatment of cancers, metabolic disorders and inflammatory diseases. Contrary to PPARγ agonists, PPARγ antagonists have been much less studied and alth

Macrolide Synthesis through Intramolecular Oxidative Cross-Coupling of Alkenes

Jiang, Bing,Zhao, Meng,Li, Shu-Sen,Xu, Yun-He,Loh, Teck-Peng

supporting information, p. 555 - 559 (2018/02/21)

A RhIII-catalyzed intramolecular oxidative cross-coupling between double bonds for the synthesis of macrolides is described. Under the optimized reaction conditions, macrocycles containing a diene moiety can be formed in reasonable yields and with excellent chemo- and stereoselectivity. This method provides an efficient approach to synthesize macrocyclic compounds containing a 1,3-conjugated diene structure.

COMPETITIVE PPAR-GAMMA ANTAGONISTS

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Paragraph 24, (2016/05/10)

The present invention pertains to a new compound E)-2-(5-((4-methoxy-2- (trifluoromethyl)quinolin-6-yl)methoxy)-2-((4-(trifluoromethyl) benzyl)oxy)-benzylidene) hexanoic acid (MTTB), and its derivatives. The compounds of the invention are useful as select

SAR-studies of γ-secretase modulators with PPARγ-agonistic and 5-lipoxygenase-inhibitory activity for Alzheimer's disease

Flesch, Daniel,Ness, Julia,Lamers, Christina,Dehm, Friederike,Popella, Sven,Steri, Ramona,Ogorek, Isabella,Hieke, Martina,Dannhardt, Gerd,Werz, Oliver,Weggen, Sascha,Schubert-Zsilavecz, Manfred

supporting information, p. 841 - 846 (2015/02/19)

We present the design, synthesis and biological evaluation of compounds containing a 2-(benzylidene)hexanoic acid scaffold as multi-target directed γ-secretase-modulators. Broad structural variations were undertaken to elucidate the structure-activity-relationships at the 5-position of the aromatic core. Compound 13 showed the most potent activity profile with IC50 values of 0.79 μM (Aβ42), 0.3 μM (5-lipoxygenase) and an EC50 value of 4.64 μM for PPARγ-activation. This derivative is the first compound exhibiting low micromolar to nanomolar activities for these three targets. Combining γ-secretase-modulation, PPARγ-agonism and inhibition of 5-lipoxygenase in one compound could be a novel disease-modifying multi-target-strategy for Alzheimer's disease to concurrently address the causative amyloid pathology and secondary pathologies like chronic brain inflammation.

Dialkylation of diethyl ethoxycarbonylmethylphosphonate under microwave and solventless conditions

Gruen, Alajos,Blastik, Zsofia,Drahos, Laszlo,Keglevich, Gyoergy

, p. 107 - 113 (2014/04/03)

To further broaden the methods for the heterogeneous phase alkylation of CH acidic compounds, the dialkylation of diethyl ethoxycarbonylmethylphosphonate was studied in the presence of Cs2CO3 under microwave and solvent-free conditio

Microwave-assisted alkylation of diethyl ethoxycarbonylmethylphosphonate under solventless conditions

Gruen, Alajos,Blastik, Zsofia,Drahos, Laszlo,Keglevich, Gyoergy

experimental part, p. 241 - 246 (2012/07/28)

The reaction of diethyl ethoxycarbonylmethylphosphonate with a series of alkyl halides, under microwave (MW) and solventless conditions at 120°C, in the presence of Cs2CO3 and in the absence of a phase transfer catalyst afforded the corresponding monoalkylated products in yields of >70%. The thermal variant carried out in boiling acetonitrile was slow and led to incomplete conversions. In the MW method, the phase transfer catalyst is substituted by MW irradiation and there is no need for a solvent.

Identification of 2-mercaptohexanoic acids as dual inhibitors of 5-lipoxygenase and microsomal prostaglandin E2 synthase-1

Greiner, Christine,Zettl, Heiko,Koeberle, Andreas,Pergola, Carlo,Northoff, Hinnak,Schubert-Zsilavecz, Manfred,Werz, Oliver

scheme or table, p. 3394 - 3401 (2011/07/08)

5-Lipoxygenase (5-LO) and microsomal prostaglandin E2 synthase (mPGES)-1 are key enzymes in the biosynthesis of leukotrienes and prostaglandin (PG)E2, respectively, and are considered as valuable targets for the treatment of inflamma

Discovery and biological evaluation of a novel class of dual microsomal prostaglandin E2 synthase-1/5-lipoxygenase inhibitors based on 2-[(4,6-diphenethoxypyrimidin-2-yl)thio]hexanoic acid

Hieke, Martina,Greiner, Christine,Dittrich, Michaela,Reisen, Felix,Schneider, Gisbert,Schubert-Zsilavecz, Manfred,Werz, Oliver

supporting information; experimental part, p. 4490 - 4507 (2011/09/15)

Various inflammatory diseases are associated with the excessive formation of leukotrienes (LTs) and prostaglandins (PGs). Herein, we present a novel class of dual inhibitors of 5-lipoxygenase (5-LO) and microsomal prostaglandin E 2 synthase-1 (

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