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Home Other Building Blocks 30414-54-1
30414-54-1,MFCD00040995
Catalog No.:AA002ZZ4

30414-54-1 | Methyl 3-oxohexanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$16.00   $11.00
- +
100g
98%
in stock  
$62.00   $43.00
- +
500g
98%
in stock  
$200.00   $140.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002ZZ4
Chemical Name:
Methyl 3-oxohexanoate
CAS Number:
30414-54-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00040995
SMILES:
CCCC(=O)CC(=O)OC
Properties
Properties
 
BP:
193°C at 760 mmHg  
Form:
Liquid  
MP:
-43 °C  
Refractive Index:
1.426  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
129  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
0.8  

Upstream Synthesis Route

[1]Patent:WO2010/118367,2010,A2,.Locationinpatent:Page/Pagecolumn51

[2]JournalofEnzymeInhibitionandMedicinalChemistry,2016,vol.31,#6,p.1362-1368

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,#23,p.7180-7184

[1]LiebigsAnnalenderChemie,1989,p.303-306

Downstream Synthesis Route

[1]Synthesis,1987,p.188-190

[2]ArchivderPharmazie,1959,vol.292,p.508,517

[1]Tetrahedron,2015,vol.71,p.7459-7469

[2]JournaloftheAmericanChemicalSociety,1974,vol.96,p.1082-1087

[1]LiebigsAnnalenderChemie,1989,p.303-306

[1]ChemistryLetters,1980,p.257-260

[2]AngewandteChemie-InternationalEdition,2013,vol.52,p.5961-5964    Angew.Chem.,2013,vol.125,p.6077-6080,4

[1]Tetrahedron,1997,vol.53,p.8881-8886

[2]TetrahedronLetters,1984,vol.25,p.1871-1874

[3]BioorganicandMedicinalChemistry,2004,vol.12,p.683-692

Literature
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Additional Info:
SDS
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