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90-31-3,MFCD00020750
Catalog No.:AA006FME

90-31-3 | 2-pyrazolin-5-one, 1-(m-chlorophenyl)-3-methyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$190.00   $133.00
- +
1g
95%
in stock  
$400.00   $280.00
- +
5g
95%
in stock  
$1,100.00   $770.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006FME
Chemical Name:
2-pyrazolin-5-one, 1-(m-chlorophenyl)-3-methyl-
CAS Number:
90-31-3
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD00020750
SMILES:
Clc1cccc(c1)N1N=C(CC1=O)C
NSC Number:
166399
Properties
Properties
 
Form:
Solid  
MP:
128-131 °C(lit.)  
Storage:
2-8℃;Keep in dry area;  

Computed Properties
 
Complexity:
277  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Karpoormath,Rajshekhar;Kehinde,Idowu;Kushwaha,Babita;Kushwaha,NarvaDeshwar;Mahlalela,MavelaCleopus;Obakachi,VincentA.;Shinde,SurajRaosaheb[JournalofMolecularStructure,2021,vol.1241]

[2]Locationinpatent:schemeortableOuyang,Guiping;Cai,Xue-Jian;Chen,Zhuo;Song,Bao-An;Bhadury,PinakiS.;Yang,Song;Jin,Lin-Hong;Xue,Wei;Hu,De-Yu;Zeng,Song[JournalofAgriculturalandFoodChemistry,2008,vol.56,#21,p.10160-10167]

[3]Locationinpatent:schemeortableSangani,ChetanB.;Mungra,DivyeshC.;Patel,ManishP.;Patel,RanjanG.[ChineseChemicalLetters,2012,vol.23,#1,p.57-60]

[4]Locationinpatent:bodytextSangani,ChetanB.;Mungra,DivyeshC.;Patel,ManishP.;Patel,RanjanG.[CentralEuropeanJournalofChemistry,2011,vol.9,#4,p.635-647]

[5]Thumar,NileshJ.;Patel,ManishP.[JournalofHeterocyclicChemistry,2012,vol.49,#5,p.1169-1178]

1004-40-6    104-88-1    90-31-3   
1-(3-chlorophenyl)-4-(4-chlorophenyl)-1,4,6,7,8,9-hexahydro-3-methyl-7-thioxo-5H-pyrazolo4′,3′:5,6pyrido2,3-dpyrimidin-5-one 

[1]MonatsheftefurChemie,2017,vol.148,p.1833-1842

455-19-6    1004-40-6    90-31-3   
1-(3-chlorophenyl)-1,4,6,7,8,9-hexahydro-3-methyl-7-thioxo-4-4-(trifluoromethyl)phenyl-5H-pyrazolo4′,3′:5,6-pyrido2,3-dpyrimidin-5-one 

[1]MonatsheftefurChemie,2017,vol.148,p.1833-1842

1004-40-6    1122-91-4    90-31-3   
4-(4-bromophenyl)-1-(3-chlorophenyl)-1,4,6,7,8,9-hexahydro-3-methyl-7-thioxo-5H-pyrazolo4′,3′:5,6pyrido2,3-dpyrimidin-5-one 

[1]MonatsheftefurChemie,2017,vol.148,p.1833-1842

1004-40-6    459-57-4    90-31-3   
1-(3-chlorophenyl)-4-(4-fluorophenyl)-1,4,6,7,8,9-hexahydro-3-methyl-7-thioxo-5H-pyrazolo4′,3′:5,6pyrido2,3-dpyrimidin-5-one 

[1]MonatsheftefurChemie,2017,vol.148,p.1833-1842

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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