1132-14-5,MFCD00040249
Catalog No.:AA00828V

1132-14-5 | 3,5-Di-tert-butyl-1H-pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
2 weeks  
$176.00   $123.00
- +
1g
97%
2 weeks  
$401.00   $281.00
- +
5g
97%
2 weeks  
$1,294.00   $906.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00828V
Chemical Name:
3,5-Di-tert-butyl-1H-pyrazole
CAS Number:
1132-14-5
Molecular Formula:
C11H20N2
Molecular Weight:
180.2899
MDL Number:
MFCD00040249
SMILES:
CC(c1[nH]nc(c1)C(C)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.6  

Downstream Synthesis Route
638-29-9    1132-14-5   
1-valeryl-3,5-di-tert-butylpyrazole 

[1]Kashima;Harada;Kita;Fukuchi;Hosomi[Synthesis,1994,#1,p.61-65]

57526-28-0    1132-14-5   
1-(3,5-Di-tert-butyl-pyrazol-1-yl)-2-methyl-butan-1-one 

[1]Kashima;Harada;Kita;Fukuchi;Hosomi[Synthesis,1994,#1,p.61-65]

[1]Fernandez-Castano,Cristina;Foces-Foces,Concepcion;Jagerovic,Nadine;Elguero,Jose[JournalofMolecularStructure,1995,vol.355,p.265-272]

[2]VanWyk,JuanitaL.;Omondi,Bernard;Appavoo,Divambal;Guzei,IliaA.;Darkwa,James[JournalofChemicalResearch,2012,vol.36,#8,p.474-477]

[3]Zelenin,KirillN.;Alekseyev,ValeryV.;Tygysheva,AljaR.;Yakimovitch,StanislavI.[Tetrahedron,1995,vol.51,#41,p.11251-11256]

[4]Zelenin;Tugusheva;Yakimovich;Alekseev;Zerova[ChemistryofHeterocyclicCompounds,2002,vol.38,#6,p.668-676]

[5]Locationinpatent:bodytextBassanetti,Irene;Gennari,Marcello;Marchio,Luciano;Terenghi,Mattia;Elviri,Lisa[InorganicChemistry,2010,vol.49,#15,p.7007-7015]

[6]Wu,Fengshou;Tong,Hongbo;Wang,Kai;Zhang,Xiulan;Zhang,Jie;Wong,Wai-Kwok;Zhu,Xunjin[JournalofCoordinationChemistry,2016,vol.69,#6,p.926-933]

4755-77-5    1132-14-5   
ethyl3,5-di-t-butyl-1-pyrazolylglyoxylate 

[1]Kashima,Choji;Shirahata,Yoshie;Tsukamoto,Yoshihiro[Heterocycles,1998,vol.49,#1,p.459-464]

[1]Beck,Alexander;Weibert,Bernhard;Burzlaff,Nicolai[EuropeanJournalofInorganicChemistry,2001,#2,p.521-527]

[2]Das,Kuheli;Beyene,BeleteB.;Datta,Amitabha;Garribba,Eugenio;Roma-Rodrigues,Catarina;Silva,Ana;Fernandes,AlexandraR.;Hung,Chen-Hsiung[NewJournalofChemistry,2018,vol.42,#11,p.9126-9139]

[3]Tardito,Saverio;Bassanetti,Irene;Bignardi,Chiara;Elviri,Lisa;Tegoni,Matteo;Mucchino,Claudio;Bussolati,Ovidio;Franchi-Gazzola,Renata;Marchio,Luciano[JournaloftheAmericanChemicalSociety,2011,vol.133,#16,p.6235-6242]

[4]Locationinpatent:bodytextBassanetti,Irene;Gennari,Marcello;Marchio,Luciano;Terenghi,Mattia;Elviri,Lisa[InorganicChemistry,2010,vol.49,#15,p.7007-7015]

Literature

Title: Intramolecular heterolytic dihydrogen cleavage by a bifunctional frustrated pyrazolylborane Lewis pair.

Journal: Chemical communications (Cambridge, England) 20101207

Title: Mono- versus dinuclear Pt(II) 6-(5-trifluoromethyl-pyrazol-3-yl)-2,2'-bipyridine complexes: synthesis, characterization, and remarkable difference in luminescent properties.

Journal: Inorganic chemistry 20100215

Title: Di-, tri-, tetra-, and hexanuclear copper(II) mono-organophosphates: structure and nuclearity dependence on the choice of phosphorus substituents and auxiliary N-donor ligands.

Journal: Inorganic chemistry 20090105

Title: The first stereochemically nonrigid monomeric two-coordinate copper(I) complexes with homoleptic and heteroleptic 'N2' donor set.

Journal: Dalton transactions (Cambridge, England : 2003) 20080707

Title: A distorted cubic tetranuclear copper(II) phosphonate cage with a double-four-ring-type core.

Journal: Inorganic chemistry 20080204

Title: Blue-emitting platinum(II) complexes bearing both pyridylpyrazolate chelate and bridging pyrazolate ligands: synthesis, structures, and photophysical properties.

Journal: Inorganic chemistry 20071224

Title: Alkali-metal pyrazolate complexes with unusual pyrazolate coordination modes and pseudocubane motifs.

Journal: Chemistry, an Asian journal 20070402

Title: Temperature dependence of the crystal structure of 3,5-di-tert-butylpyrazole from 10 K.

Journal: Acta crystallographica. Section B, Structural science 20041001

Title: Synthesis, structure, bridge-terminal exchange kinetics, and molecular orbital calculations of pyrazolate-bridged digallium complexes containing bridging phenyl groups.

Journal: Journal of the American Chemical Society 20030917

Title: Simple syntheses, structural diversity, and Tishchenko reaction catalysis of neutral homoleptic rare earth(II or III) 3,5-di-tert-butylpyrazolates--the structures of.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20010105

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Additional Info:
SDS
Tags:1132-14-5 Molecular Formula|1132-14-5 MDL|1132-14-5 SMILES|1132-14-5 3,5-Di-tert-butyl-1H-pyrazole
Catalog No.: AA00828V
1132-14-5,MFCD00040249
1132-14-5 | 3,5-Di-tert-butyl-1H-pyrazole
Pack Size: 250mg
Purity: 97%
2 weeks
$176.00 $123.00
Pack Size: 1g
Purity: 97%
2 weeks
$401.00 $281.00
Pack Size: 5g
Purity: 97%
2 weeks
$1,294.00 $906.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00828V
Chemical Name: 3,5-Di-tert-butyl-1H-pyrazole
CAS Number: 1132-14-5
Molecular Formula: C11H20N2
Molecular Weight: 180.2899
MDL Number: MFCD00040249
SMILES: CC(c1[nH]nc(c1)C(C)(C)C)(C)C
Properties
Complexity: 174  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.6  
Downstream Synthesis Route
638-29-9    1132-14-5   
1-valeryl-3,5-di-tert-butylpyrazole 

[1]Kashima;Harada;Kita;Fukuchi;Hosomi[Synthesis,1994,#1,p.61-65]

57526-28-0    1132-14-5   
1-(3,5-Di-tert-butyl-pyrazol-1-yl)-2-methyl-butan-1-one 

[1]Kashima;Harada;Kita;Fukuchi;Hosomi[Synthesis,1994,#1,p.61-65]

1118-71-4    1132-14-5 

[1]Fernandez-Castano,Cristina;Foces-Foces,Concepcion;Jagerovic,Nadine;Elguero,Jose[JournalofMolecularStructure,1995,vol.355,p.265-272]

[2]VanWyk,JuanitaL.;Omondi,Bernard;Appavoo,Divambal;Guzei,IliaA.;Darkwa,James[JournalofChemicalResearch,2012,vol.36,#8,p.474-477]

[3]Zelenin,KirillN.;Alekseyev,ValeryV.;Tygysheva,AljaR.;Yakimovitch,StanislavI.[Tetrahedron,1995,vol.51,#41,p.11251-11256]

[4]Zelenin;Tugusheva;Yakimovich;Alekseev;Zerova[ChemistryofHeterocyclicCompounds,2002,vol.38,#6,p.668-676]

[5]Locationinpatent:bodytextBassanetti,Irene;Gennari,Marcello;Marchio,Luciano;Terenghi,Mattia;Elviri,Lisa[InorganicChemistry,2010,vol.49,#15,p.7007-7015]

[6]Wu,Fengshou;Tong,Hongbo;Wang,Kai;Zhang,Xiulan;Zhang,Jie;Wong,Wai-Kwok;Zhu,Xunjin[JournalofCoordinationChemistry,2016,vol.69,#6,p.926-933]

4755-77-5    1132-14-5   
ethyl3,5-di-t-butyl-1-pyrazolylglyoxylate 

[1]Kashima,Choji;Shirahata,Yoshie;Tsukamoto,Yoshihiro[Heterocycles,1998,vol.49,#1,p.459-464]

75-09-2    1132-14-5    331943-39-6 

[1]Beck,Alexander;Weibert,Bernhard;Burzlaff,Nicolai[EuropeanJournalofInorganicChemistry,2001,#2,p.521-527]

[2]Das,Kuheli;Beyene,BeleteB.;Datta,Amitabha;Garribba,Eugenio;Roma-Rodrigues,Catarina;Silva,Ana;Fernandes,AlexandraR.;Hung,Chen-Hsiung[NewJournalofChemistry,2018,vol.42,#11,p.9126-9139]

[3]Tardito,Saverio;Bassanetti,Irene;Bignardi,Chiara;Elviri,Lisa;Tegoni,Matteo;Mucchino,Claudio;Bussolati,Ovidio;Franchi-Gazzola,Renata;Marchio,Luciano[JournaloftheAmericanChemicalSociety,2011,vol.133,#16,p.6235-6242]

[4]Locationinpatent:bodytextBassanetti,Irene;Gennari,Marcello;Marchio,Luciano;Terenghi,Mattia;Elviri,Lisa[InorganicChemistry,2010,vol.49,#15,p.7007-7015]

Literature fold

Title: Intramolecular heterolytic dihydrogen cleavage by a bifunctional frustrated pyrazolylborane Lewis pair.

Journal: Chemical communications (Cambridge, England)20101207

Title: Mono- versus dinuclear Pt(II) 6-(5-trifluoromethyl-pyrazol-3-yl)-2,2'-bipyridine complexes: synthesis, characterization, and remarkable difference in luminescent properties.

Journal: Inorganic chemistry20100215

Title: Di-, tri-, tetra-, and hexanuclear copper(II) mono-organophosphates: structure and nuclearity dependence on the choice of phosphorus substituents and auxiliary N-donor ligands.

Journal: Inorganic chemistry20090105

Title: The first stereochemically nonrigid monomeric two-coordinate copper(I) complexes with homoleptic and heteroleptic 'N2' donor set.

Journal: Dalton transactions (Cambridge, England : 2003)20080707

Title: A distorted cubic tetranuclear copper(II) phosphonate cage with a double-four-ring-type core.

Journal: Inorganic chemistry20080204

Title: Blue-emitting platinum(II) complexes bearing both pyridylpyrazolate chelate and bridging pyrazolate ligands: synthesis, structures, and photophysical properties.

Journal: Inorganic chemistry20071224

Title: Alkali-metal pyrazolate complexes with unusual pyrazolate coordination modes and pseudocubane motifs.

Journal: Chemistry, an Asian journal20070402

Title: Temperature dependence of the crystal structure of 3,5-di-tert-butylpyrazole from 10 K.

Journal: Acta crystallographica. Section B, Structural science20041001

Title: Synthesis, structure, bridge-terminal exchange kinetics, and molecular orbital calculations of pyrazolate-bridged digallium complexes containing bridging phenyl groups.

Journal: Journal of the American Chemical Society20030917

Title: Simple syntheses, structural diversity, and Tishchenko reaction catalysis of neutral homoleptic rare earth(II or III) 3,5-di-tert-butylpyrazolates--the structures of.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20010105

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