Lot numbers can be found on the outside label of a product:
5-(4-Chlorophenyl)-1H-pyrazol-3-amine
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CAS No. 78583-81-0
- Cat. No. CS-0063161
- Purity≥98%
- MDL No.MFCD00053046
*For research and further manufacturing use only, not for direct human use.
Structure of 78583-81-0
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General Information
- CAS No. 78583-81-0
- Cat. No. CS-0063161
- Purity ≥98%
- MDL No. MFCD00053046
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈ClN₃
- Molecular Weight 193.63
- Synonym(s) 3-(4-chlorophenyl)-1H-pyrazol-5-amine
- SMILES NC1=NNC(C2=CC=C(Cl)C=C2)=C1
Description
5-(4-Chlorophenyl)-1H-pyrazol-3-amine features a pyrazole core functionalized with a chlorophenyl group at C5 and an amino substituent at C3, delivering enhanced electron density and synthetic versatility. This scaffold serves as a key building block in medicinal chemistry, particularly for kinase inhibitors and bioactive heterocycles. The molecule exhibits robust stability under standard conditions and integrates readily into diverse coupling reactions.
Application
5-(4-Chlorophenyl)-1H-pyrazol-3-amine serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through palladium-catalyzed cross-coupling and electrophilic substitution reactions. Its robust bench stability, predictable reactivity, and compatibility with diverse functional groups make it ideal for constructing drug-like scaffolds in API development workflows.
Synthesis
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Route1
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In-stock
4640-66-8 - ~86%
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In-stock
78583-81-0
References
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Takahashi, Toshiyuki; Sakuraba, Aya; Hirohashi, Tomoko; Shibata, Takunobu; Hirose, Masaaki; Haga, Yuji; Nonoshita, Katsumasa; Kanno, Tetsuya; Ito, Junko; Iwaasa, Hisashi; Kanatani, Akio; Fukami, Takehiro; Sato, Nagaaki Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 22 p. 7501 - 7511
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Route2
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78583-86-5 - ~86%
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In-stock
78583-81-0
References
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Hartmann, Horst; Liebscher, Juergen Synthesis, 1984 , # 3 p. 276 - 277
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Route3
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90272-22-3 - ~76%
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In-stock
78583-81-0
References
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Nenaidenko; Golubinskii; Lenkova; Shastin; Balenkova Russian Journal of Organic Chemistry, 2004 , vol. 40, # 10 p. 1518 - 1520
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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#: 3259
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H315-H318-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 54.7
- LogP 2.3123
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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