Home Other Building Blocks 3762-25-2
3762-25-2,MFCD00041385
Catalog No.:AA003PD7

3762-25-2 | DIETHYL 4-METHYLBENZYLPHOSPHONATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$13.00   $9.00
- +
5g
97%
in stock  
$26.00   $18.00
- +
25g
98%
in stock  
$62.00   $44.00
- +
100g
97%
in stock  
$100.00   $70.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003PD7
Chemical Name:
DIETHYL 4-METHYLBENZYLPHOSPHONATE
CAS Number:
3762-25-2
Molecular Formula:
C12H19O3P
Molecular Weight:
242.2512
MDL Number:
MFCD00041385
SMILES:
CCOP(=O)(Cc1ccc(cc1)C)OCC
Properties
Properties
 
BP:
341.2°C at 760 mmHg  
Form:
Liquid  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Al-Riyami,Lamyaa;Pineda,MiguelA.;Rzepecka,Justyna;Huggan,JudithK.;Khalaf,AbedawnI.;Suckling,ColinJ.;Scott,FraserJ.;Rodgers,DavidT.;Harnett,MargaretM.;Harnett,William[JournalofMedicinalChemistry,2013,vol.56,#24,p.9982-10002]

[2]Lugowkin;Arbusow[DokladyAkademiiNaukSSSR,1948,vol.59,p.1301,1302,1303][Chem.Abstr.,1948,p.7265]

[3]Williams,A.etal.[JournaloftheChemicalSociety.PerkintransactionsII,1973,p.25-33]

[1]Lugowkin;Arbusow[DokladyAkademiiNaukSSSR,1948,vol.59,p.1301,1302,1303][Chem.Abstr.,1948,p.7265]

[2]McCauley,JohnA.;Theberge,CoryR.;Romano,JosephJ.;Billings,SusanB.;Anderson,KennethD.;Claremon,DavidA.;Freidinger,RogerM.;Bednar,RodneyA.;Mosser,ScottD.;Gaul,StanleyL.;Connolly,ThomasM.;Condra,CindraL.;Xia,Menghang;Cunningham,MichaelE.;Bednar,Bohumil;Stump,GaryL.;Lynch,JosephJ.;Macaulay,Alison;Wafford,KeithA.;Koblan,KennethS.;Liverton,NigelJ.[JournalofMedicinalChemistry,2004,vol.47,#8,p.2089-2096]

[3]Aerts;Wuyts;Dermaut;Goovaerts;Geise;Blockhuys[Macromolecules,2004,vol.37,#14,p.5406-5414]

[4]CurrentPatentAssignee:TONGJIUNIVERSITY-CN107522643,2017,ALocationinpatent:Paragraph0056;0057;0059;0065;0066

[5]Cao,Chao-Tun;Yan,Lu;Cao,Chenzhong[JournalofPhysicalOrganicChemistry,2021,vol.34,#9]

[6]Cao,Chaotun;Zeng,Zhao;Cao,Chenzhong[JournalofPhysicalOrganicChemistry,2022,vol.35,#4]

[1]Younes,S.;Tchani,G.;Baziard-Mouysset,G.;Stigliani,J.L.;Payard,M.;etal.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#1,p.87-94]

3762-25-2    104-87-0   
4,4'-dimethylstilbene 

[1]Younes,S.;Tchani,G.;Baziard-Mouysset,G.;Stigliani,J.L.;Payard,M.;etal.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#1,p.87-94]

[2]Locationinpatent:schemeortableChen,Guanfan;Cao,Chenzhong[JournalofPhysicalOrganicChemistry,2010,vol.23,#8,p.776-782]

[1]Younes,S.;Tchani,G.;Baziard-Mouysset,G.;Stigliani,J.L.;Payard,M.;etal.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#1,p.87-94]

Literature

Title: (E)-1-(4-Bromo-phen-yl)-2-(4-tert-butyl-phen-yl)-1-phenyl-ethene.

Journal: Acta crystallographica. Section E, Structure reports online 20080201

Title: Structural and mutational studies of organophosphorus hydrolase reveal a cryptic and functional allosteric-binding site.

Journal: Archives of biochemistry and biophysics 20051015

Title: Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics.

Journal: Journal of computational chemistry 20030201

Title: Successful molecular dynamics simulation of two zinc complexes bridged by a hydroxide in phosphotriesterase using the cationic dummy atom method.

Journal: Proteins 20011115

Title: Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation.

Journal: Journal of the American Chemical Society 20010207

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SDS
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