Home Other Building Blocks 6946-10-7
6946-10-7,MFCD01310655
Catalog No.:AA003DFQ

6946-10-7 | 1,3-Diacetoxyacetone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$9.00   $7.00
- +
1g
98%
in stock  
$17.00   $12.00
- +
5g
>98.0%(GC)
in stock  
$62.00   $44.00
- +
25g
95%
in stock  
$236.00   $166.00
- +
100g
95%
in stock  
$710.00   $497.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003DFQ
Chemical Name:
1,3-Diacetoxyacetone
CAS Number:
6946-10-7
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
MDL Number:
MFCD01310655
SMILES:
O=C(COC(=O)C)COC(=O)C
Properties
Properties
 
BP:
242.8°C at 760 mmHg  
Form:
Solid  
MP:
48.0 to 52.0 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
6  
XLogP3:
-0.2  

Downstream Synthesis Route

[1]Organicprocessresearchanddevelopment,2011,vol.15,p.515-526

[2]Patent:US2006/270853,2006,A1.Locationinpatent:Page/Pagecolumn6;11

[3]ChemischeBerichte,1929,vol.62,p.862

[4]ChemischeBerichte,1924,vol.57,p.709

[5]TetrahedronLetters,2001,vol.42,p.3331-3333

[6]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.3141-3144

[7]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.3570-3580

[8]Patent:WO2017/53216,2017,A2.Locationinpatent:Page/Pagecolumn34;40-41

[1]ChemischeBerichte,1950,vol.83,p.460,466

[1]Engel[JournaloftheAmericanChemicalSociety,1935,vol.57,p.2419,2420]

[1]Suemune;Mizuhara;Akita;Sakai[ChemicalandPharmaceuticalBulletin,1986,vol.34,#8,p.3440-3444]

[2]Chao,Qi;Nair,Vasu[BioorganicandMedicinalChemistryLetters,1997,vol.7,#9,p.1199-1202]

[3]CurrentPatentAssignee:MERCK&COINC-WO2009/54887,2009,A1Locationinpatent:Page/Pagecolumn48

[4]Mori,Kenji[Tetrahedron,2014,vol.70,#35,p.5752-5762]

[5]Weinstabl,Harald;Suhartono,Marcel;Qureshi,Zafar;Lautens,Mark[AngewandteChemie-InternationalEdition,2013,vol.52,#20,p.5305-5308][Angew.Chem.,2013,vol.125,#20,p.5413-5416,4]

[6]Qureshi,Zafar;Weinstabl,Harald;Suhartono,Marcel;Liu,Hongqiang;Thesmar,Pierre;Lautens,Mark[EuropeanJournalofOrganicChemistry,2014,vol.2014,#19,p.4053-4069]

[1]Balasubramaniam,RajivP.;Moss,DavidK.;Wyatt,JustinK.;Spence,JohnD.;Gee,Arvin;Nantz,MichaelH.[Tetrahedron,1997,vol.53,#22,p.7429-7444]

[2]Fort,DiegoA.;Woltering,ThomasJ.;Nettekoven,Matthias;Knust,Henner;Bach,Thorsten[ChemicalCommunications,2013,vol.49,#29,p.2989-2991]

[3]Harrison,Timothy;Myers,PeterL.;Pattenden,Gerald[Tetrahedron,1989,vol.45,#16,p.5247-5262]

Literature

Title: Synthesis, oral bioavailability determination, and in vitro evaluation of prodrugs of the antiviral agent 9-[2-(phosphonomethoxy)ethyl]adenine (PMEA).

Journal: Journal of medicinal chemistry 19940610

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