Lot numbers can be found on the outside label of a product:
3,5-Diphenyl-1H-pyrazole
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CAS No. 1145-01-3
- Cat. No. CS-W007280
- Purity≥97%
- MDL No.MFCD00039675
*For research and further manufacturing use only, not for direct human use.
Structure of 1145-01-3
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General Information
- CAS No. 1145-01-3
- Cat. No. CS-W007280
- Purity ≥97%
- MDL No. MFCD00039675
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₁₂N₂
- Molecular Weight 220.27
- Synonym(s) Pyrazole, 3,5-diphenyl-
- SMILES C1(C2=CC=CC=C2)=NNC(C3=CC=CC=C3)=C1
Description
3,5-Diphenyl-1H-pyrazole features a rigid, planar pyrazole core flanked by two aryl groups, conferring enhanced stability and electron-rich character. This structural motif enables integration into conjugated systems, serving as a building block in organic electronic materials and pharmaceutical scaffolds.
Application
3,5-Diphenyl-1H-pyrazole serves as a stable, bench-ready building block for heterocyclic synthesis, featuring orthogonal reactivity at the pyrazole ring. Its conjugated aryl substituents enhance electronic delocalization and crystallographic stability, facilitating purification via recrystallization. The compound functions effectively in transition-metal-catalyzed coupling reactions and serves as a core scaffold in medicinal chemistry libraries due to its favorable steric and electronic profile.
Synthesis
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Route1
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In-stock
120-46-7 - ~99%
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In-stock
1145-01-3
References
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Lee, Byeongno; Kang, Philjun; Lee, Kyu Hyung; Cho, Jaeheung; Nam, Wonwoo; Lee, Won Koo; Hur, Nam Hwi Tetrahedron Letters, 2013 , vol. 54, # 11 p. 1384 - 1388
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Route2
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In-stock
94-41-7 - ~97%
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In-stock
1145-01-3
References
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Zhang, Ze; Tan, Ya-Jun; Wang, Chun-Shan; Wu, Hao-Hao Heterocycles, 2014 , vol. 89, # 1 p. 103 - 112
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Route3
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16619-60-6 - ~77%
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In-stock
1145-01-3
References
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American Cyanamid Company Patent: US4014896 A1, 1977 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H315-H318-H335-H413
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Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 28.68
- LogP 3.7437
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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