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22042-79-1,MFCD00051396
Catalog No.:AA007PWU

22042-79-1 | 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$50.00   $35.00
- +
5g
98%
in stock  
$127.00   $89.00
- +
25g
98%
in stock  
$574.00   $402.00
- +
100g
98%
in stock  
$1,567.00 $1,097.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007PWU
Chemical Name:
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
22042-79-1
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD00051396
SMILES:
O=Cc1c(C)nn(c1C)c1ccccc1
Properties
Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartSanjeevaReddy,Cherkupally;VaniDevi,Macherla;Sunitha,Malladi;Nagaraj,Adki[ChemicalandPharmaceuticalBulletin,2010,vol.58,#12,p.1622-1626]

[2]Locationinpatent:experimentalpartSanjeevaReddy;VaniDevia;RajeshKumara;SanjeevaRaoa;Nagarajb[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2011,vol.50,#9,p.1181-1186]

[3]Locationinpatent:experimentalpartReddy,CherkupallySanjeeva;Kumar,GaddamRajesh;Devi,MacHerlaVani;Nagaraj,Adki[ActaChimicaSlovenica,2011,vol.58,#3,p.576-581]

[4]Attaryan;Rstakyan;Hasratyan[RussianJournalofGeneralChemistry,2012,vol.82,#10,p.1724-1727][Zh.Obshch.Khim.,2012,vol.82,#10,p.1720-1723,4]

[5]Locationinpatent:schemeortableZhang,Yinsheng;Stolle,WayneT.[Journaloflabelledcompoundsandradiopharmaceuticals,2010,vol.53,#5-6,p.487-489]

[6]CurrentPatentAssignee:HENANUNIVERSITY-CN104478804,2016,BLocationinpatent:Paragraph0034;0035

[7]Echevarria,Aurea;Elguero,Jose;Meutermans,Wim[JournalofHeterocyclicChemistry,1993,vol.30,#4,p.957-960]

[8]Touitou,Meir;Manetti,Fabrizio;Ribeiro,CamilaMaringolo;Pavan,FernandoRogerio;Scalacci,Nicolò;Zrebna,Katarina;Begum,Neelu;Semenya,Dorothy;Gupta,Antima;Bhakta,Sanjib;Mchugh,TimothyD.;Senderowitz,Hanoch;Kyriazi,Melina;Castagnolo,Daniele[ACSMedicinalChemistryLetters,2020,vol.11,#5,p.638-644]

[1]BulletindelaSocieteChimiquedeFrance,1987,p.318-324

[1]Mellor,JohnM.;Schofield,StephenR.;Korn,StewartR.[Tetrahedron,1997,vol.53,#50,p.17151-17162]

[1]Lyalin;Petrosyan[RussianChemicalBulletin,2012,vol.61,#6,p.1148-1153][Izv.Akad.Nauk,Ser.Khim.,2012,vol.61,#6,p.1139-1143,5]

[1]Khan,SalmanA.;Asiri,AbdullahM.;Alamry,KhalidA.;El-Daly,SamyA.;Zayed,MohieA.M.[RussianJournalofBioorganicChemistry,2013,vol.39,#3,p.312-317][Bioorg.Khim.,2013,vol.39,#3,p.353-357,5]

[2]Khan,SalmanA.;Asiri,AbdullahM.;Basisi,HadiMussa[JournalofFluorescence,2015,vol.25,#4,p.825-834]

Literature

Title: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]indan-1,3-dione.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Quotation Request
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SDS
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Tags:22042-79-1 Molecular Formula|22042-79-1 MDL|22042-79-1 SMILES|22042-79-1 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
Catalog No.: AA007PWU
22042-79-1,MFCD00051396
22042-79-1 | 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
Pack Size： 1g
Purity： 98%
in stock
$50.00 $35.00
Pack Size： 5g
Purity： 98%
in stock
$127.00 $89.00
Pack Size： 25g
Purity： 98%
in stock
$574.00 $402.00
Pack Size： 100g
Purity： 98%
in stock
$1,567.00 $1,097.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007PWU
Chemical Name: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number: 22042-79-1
Molecular Formula: C12H12N2O
Molecular Weight: 200.2365
MDL Number: MFCD00051396
SMILES: O=Cc1c(C)nn(c1C)c1ccccc1
Properties
Complexity: 226  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
1131-16-4    33513-42-7    22042-79-1 

[1]Locationinpatent:experimentalpartSanjeevaReddy,Cherkupally;VaniDevi,Macherla;Sunitha,Malladi;Nagaraj,Adki[ChemicalandPharmaceuticalBulletin,2010,vol.58,#12,p.1622-1626]

[2]Locationinpatent:experimentalpartSanjeevaReddy;VaniDevia;RajeshKumara;SanjeevaRaoa;Nagarajb[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2011,vol.50,#9,p.1181-1186]

[3]Locationinpatent:experimentalpartReddy,CherkupallySanjeeva;Kumar,GaddamRajesh;Devi,MacHerlaVani;Nagaraj,Adki[ActaChimicaSlovenica,2011,vol.58,#3,p.576-581]

[4]Attaryan;Rstakyan;Hasratyan[RussianJournalofGeneralChemistry,2012,vol.82,#10,p.1724-1727][Zh.Obshch.Khim.,2012,vol.82,#10,p.1720-1723,4]

[5]Locationinpatent:schemeortableZhang,Yinsheng;Stolle,WayneT.[Journaloflabelledcompoundsandradiopharmaceuticals,2010,vol.53,#5-6,p.487-489]

[6]CurrentPatentAssignee:HENANUNIVERSITY-CN104478804,2016,BLocationinpatent:Paragraph0034;0035

[7]Echevarria,Aurea;Elguero,Jose;Meutermans,Wim[JournalofHeterocyclicChemistry,1993,vol.30,#4,p.957-960]

[8]Touitou,Meir;Manetti,Fabrizio;Ribeiro,CamilaMaringolo;Pavan,FernandoRogerio;Scalacci,Nicolò;Zrebna,Katarina;Begum,Neelu;Semenya,Dorothy;Gupta,Antima;Bhakta,Sanjib;Mchugh,TimothyD.;Senderowitz,Hanoch;Kyriazi,Melina;Castagnolo,Daniele[ACSMedicinalChemistryLetters,2020,vol.11,#5,p.638-644]

87379-42-8    100-63-0    6123-63-3    22042-79-1    105223-85-6 

[1]BulletindelaSocieteChimiquedeFrance,1987,p.318-324

100596-16-5    22042-79-1 

[1]Mellor,JohnM.;Schofield,StephenR.;Korn,StewartR.[Tetrahedron,1997,vol.53,#50,p.17151-17162]

22042-79-1    61226-19-5 

[1]Lyalin;Petrosyan[RussianChemicalBulletin,2012,vol.61,#6,p.1148-1153][Izv.Akad.Nauk,Ser.Khim.,2012,vol.61,#6,p.1139-1143,5]

10599-70-9    22042-79-1    1251952-61-0 

[1]Khan,SalmanA.;Asiri,AbdullahM.;Alamry,KhalidA.;El-Daly,SamyA.;Zayed,MohieA.M.[RussianJournalofBioorganicChemistry,2013,vol.39,#3,p.312-317][Bioorg.Khim.,2013,vol.39,#3,p.353-357,5]

[2]Khan,SalmanA.;Asiri,AbdullahM.;Basisi,HadiMussa[JournalofFluorescence,2015,vol.25,#4,p.825-834]

Literature fold

Title: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

Journal: Acta crystallographica. Section E, Structure reports online20120401

Title: 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]indan-1,3-dione.

Journal: Acta crystallographica. Section E, Structure reports online20111201

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