Lot numbers can be found on the outside label of a product:
1-(5,6-Dichloropyridin-3-yl)ethanone
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CAS No. 120800-05-7
- Cat. No. CS-0044901
- Purity≥98%
- MDL No.MFCD10697703
*For research and further manufacturing use only, not for direct human use.
Structure of 120800-05-7
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General Information
- CAS No. 120800-05-7
- Cat. No. CS-0044901
- Purity ≥98%
- MDL No. MFCD10697703
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅Cl₂NO
- Molecular Weight 190.03
- Synonym(s) 1-(5,6-dichloro-3-pyridinyl)ethanone
- SMILES CC(C1=CC(Cl)=C(Cl)N=C1)=O
Description
1-(5,6-Dichloropyridin-3-yl)ethanone features a dichloropyridine core paired with an acetyl group, delivering a highly electron-deficient heterocyclic scaffold. This structural motif enables direct incorporation into synthetic sequences requiring strong acceptor properties, particularly in cross-coupling and medicinal chemistry applications. The compound exhibits bench-stable handling characteristics under standard conditions.
Application
1-(5,6-Dichloropyridin-3-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyridine-based scaffolds. Its electrophilic acyl group facilitates nucleophilic substitution and coupling reactions, particularly in the synthesis of heterocyclic compounds. The dichloro substitution pattern enhances reactivity and provides orthogonal functionalization sites. Bench-stable and readily purified by crystallization, it functions reliably in standard synthetic workflows for API development and target-oriented synthesis.
Synthesis
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Route1
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54127-29-6 -
In-stock
6638-79-5 - ~97%
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In-stock
120800-05-7
References
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PURDUE PHARMA L.P.; SHIONOGI and CO., LTD. Patent: WO2008/132600 A2, 2008 ; Location in patent: Page/Page column 305-306 ; WO 2008/132600 A2
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Route2
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162327-73-3 -
676-58-4
- ~95%
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In-stock
120800-05-7
References
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Tafesse, Laykea Patent: US2010/120862 A1, 2010 ; Location in patent: Page/Page column 95-96 ; US 20100120862 A1
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Route3
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162327-73-3
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75-16-1
- ~%
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In-stock
120800-05-7
References
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AMGEN INC.; ASHTON, Kate; BOURBEAU, Matthew, Paul; HONG, Fang-Tsao; LIU, Longbin; NISHIMURA, Nobuko; NORMAN, Mark, H.; POON, Steve, F.; STEC, Markian, M.; ST. JEAN, David, J., JR; TAMAYO, Nuria, A.; YANG, Kevin, C. Patent: WO2013/123444 A1, 2013 ; Location in patent: Page/Page column 83 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.96
- LogP 2.591
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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