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5157-08-4,MFCD00149420
Catalog No.:AA00DDOR

5157-08-4 | 4,5-Dihydro-6-methylpyridazin-3(2h)-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$11.00   $8.00
- +
10g
97%
in stock  
$15.00   $11.00
- +
25g
97%
in stock  
$27.00   $19.00
- +
100g
97%
in stock  
$101.00   $71.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DDOR
Chemical Name:
4,5-Dihydro-6-methylpyridazin-3(2h)-one
CAS Number:
5157-08-4
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00149420
SMILES:
CC1=NNC(=O)CC1
Properties
Computed Properties
 
Complexity:
139  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.7  

Upstream Synthesis Route

[1]Patent:EP3333157,2018,A1,

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#19,p.6286-6291

[2]JournalofChemicalResearch,Miniprint,1995,#8,p.1840-1852

[3]JournaloftheChemicalSociety,1947,p.239,242

[4]JournaloftheChemicalSociety,1947,p.239,242

[5]Patent:US4595521,1986,A,

[6]Patent:US4255571,1981,A,

[7]EuropeanJournalofMedicinalChemistry,2013,vol.64,p.512-528

[8]Patent:EP3333157,2018,A1,.Locationinpatent:Paragraph0134;0135

Downstream Synthesis Route
5157-08-4    4786-20-3   
3-(3-Methyl-6-oxo-5,6-dihydro-4H-pyridazin-1-yl)-butyronitrile 

[1]JournalofMedicinalChemistry,1982,vol.25,p.975-982

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

[2]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

[2]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

[1]ActaChimicaHungarica,1990,vol.127,p.829-835

[2]EuropeanJournalofMedicinalChemistry,2013,vol.64,p.512-528

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.107-114

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:5157-08-4 Molecular Formula|5157-08-4 MDL|5157-08-4 SMILES|5157-08-4 4,5-Dihydro-6-methylpyridazin-3(2h)-one
Catalog No.: AA00DDOR
5157-08-4,MFCD00149420
5157-08-4 | 4,5-Dihydro-6-methylpyridazin-3(2h)-one
Pack Size： 1g
Purity： 97%
in stock
$7.00 $5.00
Pack Size： 5g
Purity： 97%
in stock
$11.00 $8.00
Pack Size： 10g
Purity： 97%
in stock
$15.00 $11.00
Pack Size： 25g
Purity： 97%
in stock
$27.00 $19.00
Pack Size： 100g
Purity： 97%
in stock
$101.00 $71.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DDOR
Chemical Name: 4,5-Dihydro-6-methylpyridazin-3(2h)-one
CAS Number: 5157-08-4
Molecular Formula: C5H8N2O
Molecular Weight: 112.1298
MDL Number: MFCD00149420
SMILES: CC1=NNC(=O)CC1
Properties
Complexity: 139  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Undefined Atom Stereocenter Count: 1  
XLogP3: -0.7  
Upstream Synthesis Route
5157-08-4    65202-58-6 

[1]Patent:EP3333157,2018,A1,

5157-08-4    13327-27-0 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,#19,p.6286-6291

[2]JournalofChemicalResearch,Miniprint,1995,#8,p.1840-1852

[3]JournaloftheChemicalSociety,1947,p.239,242

[4]JournaloftheChemicalSociety,1947,p.239,242

[5]Patent:US4595521,1986,A,

[6]Patent:US4255571,1981,A,

[7]EuropeanJournalofMedicinalChemistry,2013,vol.64,p.512-528

[8]Patent:EP3333157,2018,A1,.Locationinpatent:Paragraph0134;0135

Downstream Synthesis Route
5157-08-4    4786-20-3   
3-(3-Methyl-6-oxo-5,6-dihydro-4H-pyridazin-1-yl)-butyronitrile 

[1]JournalofMedicinalChemistry,1982,vol.25,p.975-982

5157-08-4    104-87-0    4702-76-5    74819-18-4 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

[2]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

5157-08-4    104-88-1    3510-48-3    74819-19-5 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

[2]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.203-205

5157-08-4    66-77-3    135097-70-0 

[1]ActaChimicaHungarica,1990,vol.127,p.829-835

[2]EuropeanJournalofMedicinalChemistry,2013,vol.64,p.512-528

5157-08-4    134330-85-1    142300-90-1 

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.107-114

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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