885877-41-8,MFCD06242922
Catalog No.:AA004BKW

885877-41-8 | 4-Bromo-1,5-dimethyl-1h-1,2,3-triazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$94.00   $66.00
- +
250mg
95%
in stock  
$159.00   $111.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004BKW
Chemical Name:
4-Bromo-1,5-dimethyl-1h-1,2,3-triazole
CAS Number:
885877-41-8
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
MDL Number:
MFCD06242922
SMILES:
Cn1nnc(c1C)Br
Properties
Properties
 
BP:
244°C at 760 mmHg  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
87.4  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Upstream Synthesis Route

[1]Patent:WO2007/71900,2007,A1,.Locationinpatent:Page/Pagecolumn112-113

[2]Patent:WO2007/96576,2007,A1,.Locationinpatent:ExampleI22

[1]Patent:WO2007/71900,2007,A1,.Locationinpatent:Page/Pagecolumn112-113

[2]Patent:WO2007/96576,2007,A1,.Locationinpatent:ExampleI22

Downstream Synthesis Route

[1]Patent:WO2007/96576,2007,A1.Locationinpatent:ExampleI23

[1]Patent:WO2007/71900,2007,A1.Locationinpatent:Page/Pagecolumn112-113

[2]Patent:WO2007/96576,2007,A1.Locationinpatent:ExampleI22

885877-41-8   
tert-butyl4-(2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy}methyl)piperidine-1-carboxylate 
 
tert-butyl4-(2-amino-5-(1,5-dimethyl-1H-1,2,3-triazol-4-yl)pyridin-3-yloxy}methyl)piperidine-1-carboxylate 

[1]Patent:WO2016/97918,2016,A1.Locationinpatent:Page/Pagecolumn69

[1]Albright,SavannahG.;Ali,Bakr;Chapman,HayleyA.;Cheng,Yijie;Cusic,RachelM.;Friese,SethJ.;Hartlove,NathanB.;Labb,SamanthaA.;Marr,AlissaN.;Masteran,ConnerJ.;Timmons,Miranda[Synlett,2020,vol.31,#14,p.1384-1388]

Literature
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Additional Info:
SDS
Tags:885877-41-8 Molecular Formula|885877-41-8 MDL|885877-41-8 SMILES|885877-41-8 4-Bromo-1,5-dimethyl-1h-1,2,3-triazole
Catalog No.: AA004BKW
885877-41-8,MFCD06242922
885877-41-8 | 4-Bromo-1,5-dimethyl-1h-1,2,3-triazole
Pack Size: 100mg
Purity: 95%
in stock
$94.00 $66.00
Pack Size: 250mg
Purity: 95%
in stock
$159.00 $111.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA004BKW
Chemical Name: 4-Bromo-1,5-dimethyl-1h-1,2,3-triazole
CAS Number: 885877-41-8
Molecular Formula: C4H6BrN3
Molecular Weight: 176.0145
MDL Number: MFCD06242922
SMILES: Cn1nnc(c1C)Br
Properties
BP: 244°C at 760 mmHg  
Storage: Inert atmosphere;2-8℃;  
Complexity: 87.4  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Upstream Synthesis Route
28938-17-2    25537-64-8    74-88-4    942060-54-0    885877-41-8 

[1]Patent:WO2007/71900,2007,A1,.Locationinpatent:Page/Pagecolumn112-113

[2]Patent:WO2007/96576,2007,A1,.Locationinpatent:ExampleI22

28938-17-2    25537-64-8    74-88-4    942060-54-0    885877-41-8 

[1]Patent:WO2007/71900,2007,A1,.Locationinpatent:Page/Pagecolumn112-113

[2]Patent:WO2007/96576,2007,A1,.Locationinpatent:ExampleI22

Downstream Synthesis Route
942060-54-0    885877-41-8    942060-55-1    942060-56-2 

[1]Patent:WO2007/96576,2007,A1.Locationinpatent:ExampleI23

28938-17-2    25537-64-8    74-88-4    942060-54-0    885877-41-8 

[1]Patent:WO2007/71900,2007,A1.Locationinpatent:Page/Pagecolumn112-113

[2]Patent:WO2007/96576,2007,A1.Locationinpatent:ExampleI22

885877-41-8   
tert-butyl4-(2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy}methyl)piperidine-1-carboxylate 
 
tert-butyl4-(2-amino-5-(1,5-dimethyl-1H-1,2,3-triazol-4-yl)pyridin-3-yloxy}methyl)piperidine-1-carboxylate 

[1]Patent:WO2016/97918,2016,A1.Locationinpatent:Page/Pagecolumn69

25537-64-8    74-88-4    885877-41-8 

[1]Albright,SavannahG.;Ali,Bakr;Chapman,HayleyA.;Cheng,Yijie;Cusic,RachelM.;Friese,SethJ.;Hartlove,NathanB.;Labb,SamanthaA.;Marr,AlissaN.;Masteran,ConnerJ.;Timmons,Miranda[Synlett,2020,vol.31,#14,p.1384-1388]

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