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68571-74-4,MFCD14280279
Catalog No.:AA00FD2X

68571-74-4 | 3-Methylisoxazolo[5,4-d]pyrimidin-4(5h)-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$123.00   $86.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FD2X
Chemical Name:
3-Methylisoxazolo[5,4-d]pyrimidin-4(5h)-one
CAS Number:
68571-74-4
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
MDL Number:
MFCD14280279
SMILES:
Cc1noc2c1c(=O)[nH]cn2
NSC Number:
265525
Properties
Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.1  

Downstream Synthesis Route

[1]Taylor,E.C.;Garcia,E.E.[JournalofOrganicChemistry,1964,vol.29,p.2116-2120]

[2]Alyabiev,SergeyB.;Kravchenko,DmitriV.;Ivachtchenko,AlexandreV.[MendeleevCommunications,2008,vol.18,#3,p.144-146]

[1]Mosandl,Thomas;Kappe,C.Oliver;Flammang,Robert;Wentrup,Curt[JournaloftheChemicalSociety.Chemicalcommunications,1992,#21,p.1571-1573]

[1]Miyashita,Akira;Fujimoto,Katsuhiro;Okada,Tomomi;Higashino,Takeo[Heterocycles,1996,vol.42,#2,p.691-699]

[2]Alyabiev,SergeyB.;Kravchenko,DmitriV.;Ivachtchenko,AlexandreV.[MendeleevCommunications,2008,vol.18,#3,p.144-146]

[1]Miyashita,Akira;Fujimoto,Katsuhiro;Okada,Tomomi;Higashino,Takeo[Heterocycles,1996,vol.42,#2,p.691-699]

68571-74-4   
4-methoxy-3-methylisoxazolo<5,4-d>pyrimidine 

[1]Miyashita,Akira;Fujimoto,Katsuhiro;Okada,Tomomi;Higashino,Takeo[Heterocycles,1996,vol.42,#2,p.691-699]

Literature
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SDS
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Tags:68571-74-4 Molecular Formula|68571-74-4 MDL|68571-74-4 SMILES|68571-74-4 3-Methylisoxazolo[5,4-d]pyrimidin-4(5h)-one
Catalog No.: AA00FD2X
68571-74-4,MFCD14280279
68571-74-4 | 3-Methylisoxazolo[5,4-d]pyrimidin-4(5h)-one
Pack Size： 1g
Purity： 95%
in stock
$123.00 $86.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00FD2X
Chemical Name: 3-Methylisoxazolo[5,4-d]pyrimidin-4(5h)-one
CAS Number: 68571-74-4
Molecular Formula: C6H5N3O2
Molecular Weight: 151.1228
MDL Number: MFCD14280279
SMILES: Cc1noc2c1c(=O)[nH]cn2
NSC Number: 265525
Properties
Complexity: 216  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.1  
Downstream Synthesis Route
35261-06-4    122-51-0    68571-74-4 

[1]Taylor,E.C.;Garcia,E.E.[JournalofOrganicChemistry,1964,vol.29,p.2116-2120]

[2]Alyabiev,SergeyB.;Kravchenko,DmitriV.;Ivachtchenko,AlexandreV.[MendeleevCommunications,2008,vol.18,#3,p.144-146]

68571-74-4    145355-49-3 

[1]Mosandl,Thomas;Kappe,C.Oliver;Flammang,Robert;Wentrup,Curt[JournaloftheChemicalSociety.Chemicalcommunications,1992,#21,p.1571-1573]

68571-74-4    51850-60-3 

[1]Miyashita,Akira;Fujimoto,Katsuhiro;Okada,Tomomi;Higashino,Takeo[Heterocycles,1996,vol.42,#2,p.691-699]

[2]Alyabiev,SergeyB.;Kravchenko,DmitriV.;Ivachtchenko,AlexandreV.[MendeleevCommunications,2008,vol.18,#3,p.144-146]

35261-06-4    109-94-4    68571-74-4 

[1]Miyashita,Akira;Fujimoto,Katsuhiro;Okada,Tomomi;Higashino,Takeo[Heterocycles,1996,vol.42,#2,p.691-699]

68571-74-4   
4-methoxy-3-methylisoxazolo<5,4-d>pyrimidine 

[1]Miyashita,Akira;Fujimoto,Katsuhiro;Okada,Tomomi;Higashino,Takeo[Heterocycles,1996,vol.42,#2,p.691-699]

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